SCHEMBL25575976

SCHEMBL25575976

CSCc1cn2ccnc2cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
KEAP1 Q14145 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
DYRK1A Q13627 2/20 0.34
TGFBR1 P36897 3/20 0.34
DAO P14920 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 5/20 0.32
CPB2 Q96IY4 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
SCHEMBL12489380 0.80 MET (0.41) METKEAP1NPC1RAB9ASMN1; SMN2
SCHEMBL2197403 0.77 KEAP1 (0.53) METKEAP1NPC1RAB9ASMN1; SMN2
SCHEMBL22652316 0.76 MET (0.39) METKEAP1NPC1RAB9ASMN1; SMN2
SCHEMBL19184892 0.76 MET (0.41) METKEAP1NPC1RAB9ASMN1; SMN2
SCHEMBL20798951 0.75 MET (0.38) METKEAP1DYRK1AMEN1CYP1A2
SCHEMBL2629380 0.71 TGFBR1 (0.43) METKEAP1DYRK1ATGFBR1MEN1
SCHEMBL2497836 0.70 MET (0.35) METKEAP1DYRK1A
SCHEMBL5487376 0.66 DYRK1A (0.40) METKEAP1DYRK1ATGFBR1DAO
SCHEMBL5488750 0.66 DYRK1A (0.47) METKEAP1DYRK1ATGFBR1MEN1
SCHEMBL11266549 0.66 DYRK1A (0.40) METKEAP1DYRK1ATGFBR1MEN1

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-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 US disclosed
US-20230159557-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-05-25 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-20230159557-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 MET 139/4885KEAP1 428/4885NPC1 3640/4885
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 MET 139/4885KEAP1 428/4885NPC1 3640/4885

“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.