SCHEMBL1107966

SCHEMBL1107966

FC(F)(F)c1ccc(-c2cccc(-c3nnc(-c4ccc5ccc(-c6nnc(-c7cccc(-c8ccc(C(F)(F)F)cc8)n7)s6)cc5c4)s3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.39
AKT1 P31749 2/20 0.39
SGK1 O00141 1/20 0.39
TRPV3 Q8NET8 7/20 0.38
SCN9A Q15858 3/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
TOP1 P11387 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B1 P14061 1/20 0.36
QPCT Q16769 1/20 0.36

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
SCHEMBL1107879 0.92 HSD17B1 (0.41) TRPV3SCN9APIM1PIM3PIM2
SCHEMBL1107909 0.90 TRPV3 (0.40) TRPV3SCN9ATOP1MAOB
SCHEMBL1107875 0.90 TRPV3 (0.41) TRPV3SCN9A
SCHEMBL1107937 0.90 TRPV3 (0.43) TRPV3SCN9A
SCHEMBL1107873 0.90 CTSS (0.48) PIM1PIM3MAOB
SCHEMBL1107881 0.85 TRPV3 (0.39) TRPV3SCN9A
SCHEMBL1107862 0.84 RAB9A (0.50) PIM1PIM3PIM2HSD17B1
SCHEMBL1107931 0.84 KIF11 (0.46) TRPV3PIM1PIM3PIM2TOP1
SCHEMBL1107929 0.83 TRPV3 (0.39) TRPV3SCN9ATOP1
SCHEMBL1107944 0.83 TRPV3 (0.40) TRPV3SCN9APIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-2009013-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-12-31 EP 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 CDK2 2479/4885AKT1 3991/4885SGK1 3941/4885

“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.