SCHEMBL17700558

SCHEMBL17700558

CCC(C)(C)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
CYP1A2 P05177 1/20 0.44
CXCR4 P61073 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK10 P53779 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
GAA P10253 1/20 0.43
GRM5 P41594 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX12 P18054 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL29794355 1.00 CYP2C19 (0.47) CYP2C19CYP1A2CXCR4HTTSMN1; SMN2
SCHEMBL22001250 0.85 HTT (0.42) CYP2C19CYP1A2CXCR4HTTSMN1; SMN2
SCHEMBL12199218 0.83 NPSR1 (0.46) CYP2C19CXCR4MEN1MAPK10GFER
SCHEMBL6913184 0.83 CXCR4 (0.43) CYP2C19CYP1A2CXCR4MEN1MAPK10
SCHEMBL23352486 0.81 CXCR4 (0.42) CYP2C19CYP1A2CXCR4HTTSMN1; SMN2
SCHEMBL19352969 0.80 ALOX12 (0.48) CYP2C19CXCR4HTTSMN1; SMN2MEN1
SCHEMBL23720420 0.80 ALOX12 (0.48) CYP2C19CXCR4HTTSMN1; SMN2MEN1
SCHEMBL7448182 0.79 MEN1 (0.50) CYP2C19CYP1A2CXCR4SMN1; SMN2MEN1
SCHEMBL11985605 0.79 HTT (0.40) CYP2C19CYP1A2CXCR4HTTSMN1; SMN2
SCHEMBL11177414 0.78 FABP1 (0.44) CYP2C19CYP1A2CXCR4HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
CN-114716459-A Carboxyl substituted ruthenium complex, preparation method and application thereof 广州大学 2022-07-08 CN disclosed
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 US disclosed
EP-3428174-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-01-16 EP disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CYP2C19 3380/4885CYP1A2 3765/4885CXCR4 1021/4885
US-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 CYP2C19 1437/4885CYP1A2 1406/4885CXCR4 1678/4885
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 CYP2C19 870/4885CYP1A2 404/4885CXCR4 3228/4885

“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.