SCHEMBL2568441

SCHEMBL2568441

CNC(=O)Cc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
NAPRT Q6XQN6 1/20 0.62
EPHX2 P34913 1/20 0.55
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.52
MAPK8 P45983 1/20 0.52
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.51
GLS O94925 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL15433157 0.86 TRPV1 (0.61) CYP1A2CYP3A4CYP2C9GAALMNA
SCHEMBL6800466 0.84 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL12409531 0.83 CYP1A2 (0.66) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL10154019 0.83 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9NAPRTMAPT
SCHEMBL2568439 0.82 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL13647194 0.82 CYP1A2 (0.70) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL967538 0.82 CYP3A4 (1.00) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL24011470 0.81 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
SCHEMBL2757955 0.81 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9NAPRTEPHX2
Hydrochloric Acid SCHEMBL2996773 0.81 CYP3A4 (0.97) CYP1A2CYP3A4CYP2C9NAPRTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281450-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2023-11-29 EP claimed
WO-2022157334-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-07-28 WO claimed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US claimed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP claimed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
WO-2021213317-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 微境生物医药科技(上海)有限公司 (CN) 2021-10-28 WO disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
US-20070141397-A1 TRANSITION METAL COMPLEX COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE COMPOUND IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK CYP1A2 3996/4885CYP3A4 4490/4885CYP2C9 4581/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CYP1A2 1682/4885CYP3A4 2422/4885CYP2C9 1551/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CYP1A2 4035/4885CYP3A4 4082/4885CYP2C9 3991/4885

“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.