SCHEMBL16713445

SCHEMBL16713445

C1=COc2cc3ncccc3cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
CASP6 P55212 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CASP1 P29466 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
CASP7 P55210 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR4A2 P43354 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL15058403 0.78 RAB9A (0.47) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL11083139 0.78 NPC1 (0.47) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL22411150 0.78 NPC1 (0.40) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL5530115 0.78 NPC1 (0.40) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL150476 0.78 NPC1 (0.65) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL29350099 0.78 NPC1 (0.65) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL15058270 0.76 NPC1 (0.45) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL6647315 0.75 NPC1 (0.62) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL13156510 0.73 NPC1 (0.60) NPC1RAB9APOLBPDGFRBPDGFRA
SCHEMBL12532559 0.73 NPC1 (0.60) NPC1RAB9APOLBPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639304-B2 Kinase inhibitors RAJASEKARAN AYYAPPAN K (US) 2020-05-05 US disclosed
US-20170231975-A1 Kinase Inhibitors RAJASEKARAN AYYAPPAN K (US) 2017-08-17 US disclosed
US-9636340-B2 Kinase inhibitors Rajasekaran, Ayyappan K. (US) 2017-05-02 US disclosed
US-20150140071-A1 KINASE INHIBITORS RAJASEKARAN AYYAPPAN K (US) 2015-05-21 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 (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-10639304-B2 Kinase inhibitors ABL1, SRC, ABL2 NPC1 3135/4885RAB9A 1229/4885POLB 4158/4885
US-20150140071-A1 KINASE INHIBITORS ABL1, SRC, ABL2 NPC1 3135/4885RAB9A 1229/4885POLB 4158/4885
US-20170231975-A1 Kinase Inhibitors ABL1, SRC, ABL2 NPC1 3135/4885RAB9A 1229/4885POLB 4158/4885

“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.