SCHEMBL25810411

SCHEMBL25810411

CC(=O)c1nc(-c2ccccc2)cnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
ATR Q13535 10/20 0.47
PRKDC P78527 3/20 0.47
LDHA P00338 1/20 0.44
BAZ2B Q9UIF8 1/20 0.42
NPC1 O15118 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP2K3 P46734 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL20899047 0.87 LDHA (0.50) IKBKBATRPRKDCLDHANPC1
SCHEMBL3461782 0.83 IKBKB (0.48) IKBKBATRPRKDCBAZ2BNPC1
SCHEMBL14525246 0.81 ATR (0.65) ATRPRKDCATM
SCHEMBL22595056 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ATM
SCHEMBL3525387 0.75 SMN1; SMN2 (0.48) NPC1PDGFRBKDRFLT3RAB9A
SCHEMBL11223967 0.74 SMN1; SMN2 (0.51) NPC1PDGFRBKDRFLT3RAB9A
SCHEMBL25810607 0.74 PTPN11 (0.35) ATRPRKDCATM
SCHEMBL10616051 0.72 KDM4E (0.52) ATRNPC1PDGFRBKDRFLT3
SCHEMBL4798197 0.71 FTO (0.59) LDHARAB9ASMN1; SMN2MAP2K3ADORA3
SCHEMBL6990771 0.71 IKBKB (0.51) IKBKBATRPRKDCLDHASMN1; SMN2

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 2 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

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

For each of this compound's patents that has machine-readable text (2 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-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 IKBKB 870/4885ATR 643/4885PRKDC 595/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 IKBKB 870/4885ATR 643/4885PRKDC 595/4885

“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.