SCHEMBL3904232

SCHEMBL3904232

CNc1cccnc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
APLNR P35414 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
BTK Q06187 1/20 0.40
TYK2 P29597 1/20 0.38
PDE4D Q08499 1/20 0.38
RRM2 P31350 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM1A O60341 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 1/20 0.36
VDR P11473 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
SCHEMBL5266402 0.82 SLC22A12 (0.44) SLC22A12APLNRBTKKDM1AMAOA
SCHEMBL13036943 0.82 SLC22A12 (0.44) SLC22A12APLNRPOLBBTKKDM1A
SCHEMBL22593335 0.82 SLC22A12 (0.44) SLC22A12APLNRBTKKDM1AMAOA
Hydrochloric Acid SCHEMBL21598400 0.80 SLC22A12 (0.43) SLC22A12APLNRBTKKDM1AMAOA
SCHEMBL28442269 0.80 L3MBTL1 (0.48) ALDH1A1GAAMAPTGRM5NPC1
SCHEMBL21227323 0.79 SLC22A12 (0.49) SLC22A12APLNRPOLBBTKKDM1A
SCHEMBL20697220 0.79 IDO1 (0.45) SLC22A12APLNRPOLBBTKKDM1A
SCHEMBL4477938 0.79 MKNK2 (0.42) KDM4ETYK2MAPTGRM5
SCHEMBL12380214 0.79 LRRK2 (0.46) SLC22A12APLNRBTKMAPTVDR
SCHEMBL20687657 0.79 TYK2 (0.42) SLC22A12TYK2RRM2NCOA1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 EP claimed
US-8729091-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US claimed
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US claimed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
CN-112689629-B For inhibiting Nav1.8 Pyridazine Compounds 利伯研究所公司 2024-04-23 CN disclosed
CN-117247331-A Dibenzylbutane type lignan analogue and application thereof 中国人民解放军海军军医大学 2023-12-19 CN disclosed
CN-111556871-B 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors H.隆德贝克有限公司 2023-07-07 CN disclosed
CN-111491936-B Macrocyclic compounds as PDE1 inhibitors H.隆德贝克有限公司 2023-07-04 CN disclosed
CN-110099901-B Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2023-01-03 CN disclosed
CN-111465410-B Combination therapy comprising administration of 1H-pyrazolo [4,3-B ] pyridine H.隆德贝克有限公司 2022-10-25 CN disclosed
US-8420647-B2 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
CN-102574845-A 1h-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG 2012-07-11 CN disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH SLC22A12 4668/4885APLNR 3575/4885KDM4E 2269/4885
US-20130150372-A1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS P2RY1, GPBAR1, ADORA1 SLC22A12 577/4885APLNR 718/4885KDM4E 3614/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A SLC22A12 4817/4885APLNR 4054/4885KDM4E 2831/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH SLC22A12 4668/4885APLNR 3575/4885KDM4E 2269/4885

“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.