SCHEMBL23415410

SCHEMBL23415410

CC(CN)Nc1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ AOC1 P19801 2/20 0.37
▸ AOC3 Q16853 2/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ CCNA2 P20248 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ CCNA1 P78396 4/20 0.35
▸ CDK5 Q00535 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ CDK5R1 Q15078 3/20 0.34

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
SCHEMBL30593394 0.81 LPAR1 (0.41) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16090945 0.79 HCAR3 (0.51) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL5555518 0.79 HCAR3 (0.42) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL30797267 0.77 HCAR3 (0.43) LPAR1MKNK1P2RX7KDRHCAR3
SCHEMBL1831586 0.76 KDM4E (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19HTT
SCHEMBL20355865 0.76 KDR (0.37) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL233599 0.72 CCNA2 (0.36) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL20956373 0.72 CCR4 (0.36) HRH4
SCHEMBL28081381 0.71 KDR (0.39) LPAR1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL12763800 0.70 HRH4 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 — — US disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 — — CN disclosed
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 — — 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 (1 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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS LPAR1 2922/4885SMN1; SMN2 4090/4885CYP1A2 4427/4885

“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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