SCHEMBL2087274

SCHEMBL2087274

CN1[C@@H]2CCC[C@H]1C[C@H](N)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM4 P08173 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRNB2 P17787 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4924453 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL703571 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL29992606 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL703572 1.00 MAPK1 (0.50) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL703781 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005613 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005612 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL1005652 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
Hydrochloric Acid SCHEMBL703780 0.97 MAPK1 (0.48) MAPK1LMNACYP2C9CHRM4CHRM2
SCHEMBL334182 0.89 CYP2C9 (0.55) MAPK1LMNACYP2C9CHRM4CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2026-03-03 US disclosed
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-04-11 US disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 US disclosed
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-04-08 US disclosed
US-10590090-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2020-03-17 US disclosed
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-07-11 US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 US disclosed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US disclosed
US-20080139609-A1 GRANISETRON COMPOSITIONS DR. REDDY'S LABORATORIES, INC. 2008-06-12 US disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10590090-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 MAPK1 349/4885LMNA 3715/4885CYP2C9 3974/4885
US-20240116878-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 MAPK1 489/4885LMNA 4881/4885CYP2C9 4589/4885
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 MAPK1 349/4885LMNA 3715/4885CYP2C9 3974/4885
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 MAPK1 489/4885LMNA 4881/4885CYP2C9 4589/4885
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 MAPK1 2332/4885LMNA 2361/4885CYP2C9 1311/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 MAPK1 2332/4885LMNA 2361/4885CYP2C9 1311/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 MAPK1 349/4885LMNA 3715/4885CYP2C9 3974/4885
US-20080139609-A1 GRANISETRON COMPOSITIONS GCG, GCGR, MC2R MAPK1 2759/4885LMNA 3448/4885CYP2C9 367/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 MAPK1 2332/4885LMNA 2361/4885CYP2C9 1311/4885
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN6, PTPN2 MAPK1 453/4885LMNA 4804/4885CYP2C9 3526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.