SCHEMBL20899082

SCHEMBL20899082

CCCCC(CC)COC(=O)CCSc1cccc(C=N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ LMNA P02545 3/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ THRB P10828 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS2 P35354 4/20 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
SCHEMBL29068835 0.85 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL25966335 0.85 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24336483 0.83 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24336224 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL20899124 0.82 TSHR (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL25294676 0.82 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24335970 0.79 CYP3A4 (0.44) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383772 0.79 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785248 0.79 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL25167671 0.78 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1

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 CYP3A4 3646/4885TSHR 921/4885TDP1 1604/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 CYP3A4 3646/4885TSHR 921/4885TDP1 1604/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 CYP3A4 3646/4885TSHR 921/4885TDP1 1604/4885

“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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