SCHEMBL2963149

SCHEMBL2963149

N#CC=Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NPC1 O15118 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ENPP2 Q13822 1/20 0.40
CYP1A1 P04798 1/20 0.39

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
SCHEMBL2963146 1.00 KDM4E (0.50) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL14682667 0.87 KDM4E (0.48) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL24668281 0.82 MAPT (0.43) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL10846493 0.79 KDM4E (0.64) KDM4EMAPTMEN1KMT2AENPP2
SCHEMBL3144474 0.79 KDM4E (0.64) KDM4EMAPTMEN1KMT2AENPP2
Pyridine SCHEMBL27556477 0.77 NFE2L2 (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6332022 0.76 JUN (0.50) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL6332023 0.76 JUN (0.50) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL138489 0.76 MAPT (0.61) KDM4EJUNNFKB1NPC1MAPT
SCHEMBL107198 0.76 MAPT (0.61) KDM4EJUNNFKB1NPC1MAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1263731-C Novel therapeutic immunizing agents and their use in reducing cytokine levels CELGENE CORP (US) 2006-07-12 CN claimed
CN-115385851-B Near-infrared aggregation-induced emission type ultra-efficient photosensitizer with asymmetric diacetonitrile-based structure, preparation method and application 华东理工大学 2024-10-18 CN disclosed
CN-117003759-A TB-pyridine cyano vinyl derivative with viscosity response and synthesis and application thereof 江苏师范大学 2023-11-07 CN disclosed
CN-115385851-A Near-infrared aggregation-induced emission type ultra-efficient photosensitizer with asymmetric diacetonitrile structure, and preparation method and application thereof 华东理工大学 2022-11-25 CN disclosed
US-20180009783-A1 SUBSTITUTED 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME JANSSEN PHARMACEUTICA NV (BE) 2018-01-11 US disclosed
US-9796699-B2 Substituted 2-[3-(1-methyl-piperidin-4-yl)-propylamino]-pyrimidine-5-carboxylic acids and amides and methods of making the same JANSSEN PHARMACEUTICA NV (BE) 2017-10-24 US disclosed
US-9796699-B2 Substituted 2-[3-(1-methyl-piperidin-4-yl)-propylamino]-pyrimidine-5-carboxylic acids and amides and methods of making the same JANSSEN PHARMACEUTICA NV (BE) 2017-10-24 US disclosed
WO-2017076888-A1 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 WO disclosed
US-20170121309-A1 SUBSTITUTED 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-20170121309-A1 SUBSTITUTED 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP disclosed
CN-1379777-A Amino-triazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed
CN-1228080-A Novel therapeutic immunizing agents and their use in reducing cytokine levels CELGENE CORP (US) 1999-09-08 CN disclosed
US-4452943-A ADDING NITRILE-CONTAINING MATERIAL TO NON-POLAR THERMOPLASTIC POLYMER GOLDMAN CONRAD 1984-06-05 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 (4 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 KDM4E 551/4885JUN 1427/4885NFKB1 641/4885
US-20180009783-A1 SUBSTITUTED 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME DPYD, PAICS, AZI2 KDM4E 591/4885JUN 1266/4885NFKB1 1966/4885
US-20170121309-A1 SUBSTITUTED 2-[3-(1-METHYL-PIPERIDIN-4-YL)-PROPYLAMINO]-PYRIMIDINE-5-CARBOXYLIC ACIDS AND AMIDES AND METHODS OF MAKING THE SAME DPYD, PAICS, AZI2 KDM4E 591/4885JUN 1266/4885NFKB1 1966/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 KDM4E 3627/4885JUN 2748/4885NFKB1 361/4885

“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.