SCHEMBL20165928

SCHEMBL20165928

Clc1nccc(SCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
IDH1 O75874 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL19024858 0.81 HSD17B10 (0.67) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21906037 0.76 HSD17B10 (0.50) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22553421 0.76 KMT2A (0.48) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9846474 0.73 HSD17B10 (0.50) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3690080 0.73 GRM5 (0.51) HTTCYP1A2CYP2C9CYP2D6TP53
SCHEMBL23195821 0.72 POLB (0.46) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7509985 0.72 HSD17B10 (0.65) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL400161 0.72 POLB (0.70) HSD17B10NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21862708 0.71 HTT (0.50) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL29781442 0.71 HTT (0.50) SMN1; SMN2KMT2AMEN1HTTALDH1A1

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-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 US disclosed
US-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 US disclosed
EP-3541813-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-09-25 EP disclosed
WO-2018092089-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-24 WO 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-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 HSD17B10 2056/4885NPC1 3692/4885RAB9A 1035/4885

“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.