SCHEMBL25810607

SCHEMBL25810607

CC(=O)c1nc(-c2ccnc(Cl)c2Cl)cnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.35
PRKDC P78527 2/20 0.32
ATR Q13535 2/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PDCD1 Q15116 3/20 0.30
CD274 Q9NZQ7 3/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL20909030 0.81 ALDH1A1 (0.41)
SCHEMBL25810411 0.74 IKBKB (0.48) PRKDCATRATM
SCHEMBL20899010 0.72 PTPN11 (0.39) PTPN11PDCD1CD274
SCHEMBL24986582 0.72 KMO (0.39) PTPN11ATM
SCHEMBL30185163 0.72 KMO (0.39) PTPN11ATM
SCHEMBL30185222 0.70 ALPL (0.40) PTPN11ATRCD274
SCHEMBL22366797 0.70 ALPL (0.40) PTPN11ATRCD274
Propionic Acid SCHEMBL20899011 0.69 CCR4 (0.33) PTPN11PDCD1CD274
SCHEMBL22789698 0.68 PRKDC (0.45) PTPN11PRKDCATRPDCD1CD274
SCHEMBL3701660 0.67 PDE3B (0.38) PDE3BPDE3A

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 PTPN11 6/4885PRKDC 595/4885ATR 643/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 PTPN11 6/4885PRKDC 595/4885ATR 643/4885

“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.