SCHEMBL20909030

SCHEMBL20909030

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.39
TARBP2 Q15633 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP1 P29466 1/20 0.38
BRD4 O60885 1/20 0.37
CYP1A2 P05177 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL25810607 0.81 PTPN11 (0.35)
SCHEMBL22595056 0.78 NPC1 (0.57) ALDH1A1NPC1TP53MAPTMAPK1
SCHEMBL26281338 0.75 ALDH1A1 (0.51) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL18832310 0.74 CA12 (0.47) ALDH1A1NPC1MAPTHTTHSD17B10
SCHEMBL23611731 0.73 BRD4 (0.49) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL20909029 0.73 ALDH1A1 (0.49) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL14661066 0.72 NUDT1 (0.52) ALDH1A1HTTHSD17B10KDM4EMEN1
SCHEMBL22366797 0.70 ALPL (0.40) ALDH1A1NPC1MAPTNPSR1KDM4E
SCHEMBL30185222 0.70 ALPL (0.40) ALDH1A1NPC1MAPTNPSR1KDM4E
SCHEMBL30683763 0.69 SLC6A3 (0.44) ALDH1A1MAPTHTTNPSR1KDM4E

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 6 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
CN-111212834-B Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN 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
CN-111212834-A Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors 锐新医药公司 2020-05-29 CN 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 ALDH1A1 4359/4885NPC1 4514/4885TP53 141/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 ALDH1A1 4359/4885NPC1 4514/4885TP53 141/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 ALDH1A1 4359/4885NPC1 4514/4885TP53 141/4885

“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.