SCHEMBL1913009

SCHEMBL1913009

CCCc1cncc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NOS1 P29475 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL19831950 0.88 TDP1 (0.43) CYP11B1CYP11B2NOS1CHRNB2CHRNA4
SCHEMBL19619535 0.86 TDP1 (0.50) NOS1TP53HSD17B10TDP1L3MBTL1
SCHEMBL21230532 0.84 TDP1 (0.49) NOS1TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL20467132 0.84 TDP1 (0.49) NOS1TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL19697178 0.84 TDP1 (0.49) NOS1TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL16390248 0.84 NOS1 (0.42) NOS1CHRNB2CHRNA4PRMT5WDR77
SCHEMBL6468613 0.82
SCHEMBL15564026 0.78 HCAR2 (0.41) CYP11B1CYP11B2NOS1HCAR2GRIN1
SCHEMBL20771897 0.78 TAAR1 (0.50) CYP11B1CYP11B2NOS1HCAR2SMN1; SMN2
SCHEMBL30824578 0.78 TAAR1 (0.50) CYP11B1CYP11B2NOS1HCAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 CN disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 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 (5 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CYP11B1 455/4885CYP11B2 538/4885NOS1 3779/4885
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CYP11B1 96/4885CYP11B2 122/4885NOS1 2441/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 CYP11B1 152/4885CYP11B2 166/4885NOS1 1344/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP11B1 488/4885CYP11B2 725/4885NOS1 106/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CYP11B1 2525/4885CYP11B2 2614/4885NOS1 928/4885

“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.