SCHEMBL26326733

SCHEMBL26326733

COc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 1/20 0.52
CSF1R P07333 3/20 0.50
KIT P10721 3/20 0.49
CYP3A4 P08684 2/20 0.49
LCK P06239 1/20 0.49
PGR P06401 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
PDGFRB P09619 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
PDGFRA P16234 1/20 0.49
FLT1 P17948 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL24594026 0.83 CYP2C19 (0.56) NPC1RAB9AKMT2ACYP2C19CSF1R
SCHEMBL2308761 0.81 NPC1 (0.68) NPC1RAB9AKMT2AMAPTHDAC1
SCHEMBL21377439 0.81 CSF1R (0.53) CYP2C19CSF1RKITCYP3A4LCK
SCHEMBL1885108 0.80 CSF1R (0.81) CYP2C19CSF1RKITCYP3A4LCK
SCHEMBL28647869 0.80 CYP2C19 (0.48) CYP2C19CSF1RKITLCKPGR
SCHEMBL2599920 0.80 NPC1 (0.52) NPC1RAB9AKMT2ACYP2C19CSF1R
SCHEMBL21377437 0.80 CSF1R (0.53) CYP2C19CSF1RKITCYP3A4LCK
SCHEMBL929327 0.80 TRPV4 (0.52) KMT2APTGS2MAPTTP53
SCHEMBL30170521 0.79 CYP2C19 (0.48) NPC1RAB9AKMT2ACYP2C19CSF1R
SCHEMBL24768087 0.79 CYP2C19 (0.48) NPC1RAB9AKMT2ACYP2C19CSF1R

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-11767296-B2 Heteroaryl compounds as kinase inhibitor FUJIAN HAIXI PHARMACEUTICALS CO., LTD (CN) 2023-09-26 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-11767296-B2 Heteroaryl compounds as kinase inhibitor RET, ERBB2, ABL1 NPC1 3660/4885RAB9A 863/4885KMT2A 842/4885

“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.