SCHEMBL16604283

SCHEMBL16604283

Cc1ccc(C(=O)Nc2cc(C)ccn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.76
RAB9A P51151 9/20 0.76
PKM P14618 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.64
ATM Q13315 1/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
GAA P10253 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KMT2A Q03164 2/20 0.63
MITF O75030 1/20 0.60
TP53 P04637 1/20 0.60
XBP1 P17861 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL17675306 0.90 NPC1 (0.72) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL26293792 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL21349103 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL16594545 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL2176413 0.89 NPC1 (0.89) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL17065565 0.89 NPC1 (0.89) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL7900640 0.88 NPC1 (0.68) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL14082359 0.86 NPC1 (0.71) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL18216806 0.86 NPC1 (0.67) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL21911449 0.86 KDM4E (0.58) NPC1RAB9APKMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624224-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-04-18 US disclosed
US-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-02-23 US disclosed
US-20150094319-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-04-02 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-20170050970-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK NPC1 4476/4885RAB9A 2689/4885PKM 3564/4885
US-20150094319-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK NPC1 4476/4885RAB9A 2689/4885PKM 3564/4885

“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.