SCHEMBL25833149

SCHEMBL25833149

c1ccc2[nH]c(-c3ccc4cc(-c5ccc6nc[nH]c6c5)[nH]c4c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.52
RAB9A P51151 12/20 0.52
SMN1; SMN2 Q16637 10/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
QPCT Q16769 2/20 0.49
QPCTL Q9NXS2 2/20 0.49
ALDH1A1 P00352 10/20 0.47
HPGD P15428 7/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 4/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 10/20 0.46
TP53 P04637 4/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 4/20 0.45

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
SCHEMBL4254034 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL31050185 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL6004927 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL14669311 0.79 QPCT (0.57) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2569383 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL30822560 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL20847438 0.78 QPCT (0.58) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL2686936 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL24684965 0.78 QPCT (0.52) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL18610454 0.76 QPCT (0.45) NPC1RAB9ASMN1; SMN2QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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 (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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 NPC1 1611/4885RAB9A 715/4885SMN1; SMN2 4575/4885

“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.