SCHEMBL20899010

SCHEMBL20899010

O=C(O)CCc1nc(-c2ccnc(Cl)c2Cl)cnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
FFAR1 O14842 9/20 0.37
HDAC6 Q9UBN7 3/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
TBXAS1 P24557 2/20 0.33
P4HTM Q9NXG6 1/20 0.33
MAP4K4 O95819 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 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
SCHEMBL20899067 0.78 KDM4E (0.44) FFAR1HDAC6L3MBTL1KDM4EALDH1A1
SCHEMBL25810607 0.72 PTPN11 (0.35) PTPN11PDCD1CD274
SCHEMBL20899131 0.71 FFAR1 (0.36) FFAR1HDAC6P4HTMMAP4K4L3MBTL1
Propionic Acid SCHEMBL20899011 0.70 CCR4 (0.33) PTPN11FFAR1PDCD1CD274ALDH1A1
SCHEMBL20909030 0.69 ALDH1A1 (0.41) KDM4EALDH1A1HPGD
SCHEMBL24986582 0.65 KMO (0.39) PTPN11KDM4EALDH1A1
SCHEMBL30185163 0.65 KMO (0.39) PTPN11KDM4EALDH1A1
SCHEMBL30495472 0.64 CD274 (0.33) PTPN11PDCD1CD274
SCHEMBL27080475 0.63 LMNA (0.35) PTPN11
SCHEMBL2561240 0.61 FFAR1 (0.54) FFAR1TBXAS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-07-18 US disclosed
US-20200339552-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-10-29 US disclosed
EP-3694848-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2020-08-19 EP disclosed
WO-2019075265-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-04-18 WO 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 (3 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-20200339552-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 PTPN11 6/4885FFAR1 1710/4885HDAC6 1045/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 PTPN11 6/4885FFAR1 1710/4885HDAC6 1045/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 PTPN11 6/4885FFAR1 1710/4885HDAC6 1045/4885

“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.