SCHEMBL9753602

SCHEMBL9753602

Cc1cc(C)c(N)nc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TERT O14746 1/20 0.36
NQO1 P15559 1/20 0.35
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34

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
SCHEMBL28292898 1.00 NOS3 (0.44) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL3220307 0.85 NOS3 (0.48) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL20280105 0.81 CYP3A4 (0.43) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL27454384 0.81 CYP3A4 (0.43) NOS3NOS1NOS2CYP3A4TSHR
Hydrochloric Acid SCHEMBL27496477 0.79 CYP3A4 (0.42) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL694204 0.78 NOS3 (0.41) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL24455092 0.77 CD44 (0.41) NOS3NOS1NOS2CYP3A4LMNA
SCHEMBL18697135 0.77 NOS3 (0.39) NOS3NOS1NOS2LMNACYP1A2
SCHEMBL29693617 0.77 LMNA (0.44) NOS3NOS1NOS2CYP3A4TSHR
SCHEMBL30037705 0.77 LMNA (0.44) NOS3NOS1NOS2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109748857-A A kind of synthetic method of 2,3,5- trimethyl -6- bromopyridine 丹阳市易通安全技术服务有限公司 2019-05-14 CN claimed
CN-107311920-A A kind of synthetic method of the bromopyridine of 2,3,5 trimethyl 6 刘瑞海 2017-11-03 CN claimed
EP-3766876-B1 PHARMACEUTICAL FORMULATION CONTAINING A QUINOLONE DERIVATIVE MELINTA SUBSIDIARY CORP (US) 2023-09-13 EP disclosed
WO-2023147328-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION WITH HYDOLYSABLE MALEIMIDE LINKERS AND METHODS THEREOF GENENTECH, INC. (US) 2023-08-03 WO disclosed
EP-4194449-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-06-14 EP disclosed
CN-109748857-A A kind of synthetic method of 2,3,5- trimethyl -6- bromopyridine 丹阳市易通安全技术服务有限公司 2019-05-14 CN disclosed
US-20170369488-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2017-12-28 US disclosed
CN-107311920-A A kind of synthetic method of the bromopyridine of 2,3,5 trimethyl 6 刘瑞海 2017-11-03 CN disclosed
US-9695167-B2 Substituted triazolo[1,5-a]pyridines and triazolo[1,5-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US disclosed
EP-2346855-B1 PROCESS FOR MAKING QUINOLONE COMPOUNDS MELINTA THERAPEUTICS INC (US) 2017-04-05 EP disclosed
US-20160009711-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2016-01-14 US disclosed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 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 (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-20170369488-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B NOS3 603/4885NOS1 328/4885NOS2 475/4885
US-20160009711-A1 TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B NOS3 637/4885NOS1 452/4885NOS2 583/4885

“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.