SCHEMBL19153952

SCHEMBL19153952

CC1CCNc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ OPRL1 P41146 2/20 0.32

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
SCHEMBL10072303 0.81 GSK3B (0.42) GSK3BADORA3ADORA2AADORA1HTR2A
SCHEMBL18259028 0.78 KDM1A (0.34) GSK3BADORA3ADORA2AADORA1CHRNB2
SCHEMBL31669380 0.78 GSK3B (0.33) GSK3B
SCHEMBL18237542 0.77 GSK3B (0.34) GSK3BADORA3ADORA2AADORA1HTR2A
SCHEMBL21920702 0.74 FNTA (0.33) GSK3BCHRNB2CHRNA4
SCHEMBL24402677 0.73 CHRNB2 (0.33) GSK3BCHRNB2CHRNA4OPRL1
SCHEMBL34463425 0.73 GSK3B (0.34) GSK3BADORA3ADORA2AADORA1CHRNB2
SCHEMBL20571205 0.71 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL20571417 0.71 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL20571866 0.71 HTR2A (0.33) HTR2AHTR2CHTR2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 — — US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 — — US disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 — — US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 — — US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 — — US disclosed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 — — EP disclosed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 — — WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 — — 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 (4 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GSK3B 2160/4885ADORA3 4145/4885ADORA2A 4582/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 GSK3B 1327/4885ADORA3 4604/4885ADORA2A 4217/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 GSK3B 341/4885ADORA3 4530/4885ADORA2A 3125/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 GSK3B 357/4885ADORA3 4461/4885ADORA2A 3044/4885

“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.

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