SCHEMBL1905339

SCHEMBL1905339

Cc1ccnn1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
OXTR P30559 5/20 0.49
AVPR1A P37288 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLD1 Q13393 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
SCHEMBL1906271 0.84 OXTR (0.40) KDM5AKDM4CKDM5BOXTRAVPR1A
SCHEMBL9697055 0.76 RAB9A (0.44) OXTRAVPR1ASMN1; SMN2RAB9AHPGD
SCHEMBL8673827 0.76 RAB9A (0.44) OXTRAVPR1ASMN1; SMN2RAB9AMAPT
SCHEMBL31023204 0.76 POLB (0.57) OXTRAVPR1ASMN1; SMN2RAB9AMAPT
SCHEMBL544026 0.76 POLB (0.57) OXTRAVPR1ASMN1; SMN2RAB9AMAPT
SCHEMBL26051421 0.76 RAB9A (0.41) OXTRAVPR1ASMN1; SMN2RAB9AMAPT
SCHEMBL17086621 0.75 KDM4C (0.57) KDM5AKDM4CKDM5BSMN1; SMN2MAPT
SCHEMBL22349328 0.73 KDM5A (0.59) KDM5AKDM4CKDM5BOXTRAVPR1A
SCHEMBL3461571 0.73 MAPT (0.56) SMN1; SMN2RAB9AMAPTNPC1TP53
SCHEMBL12922843 0.73 CYP17A1 (0.49) KDM5AKDM4CKDM5BSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20150094474-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2015-04-02 US disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
US-7834186-B2 Preparation and use of 2-substituted-5-oxo-3-pyrazolidinecarboxylates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-16 US disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-20090036686-A1 PREPARATION AND USE OF 2-SUBSTITUTED-5-OXO-3-PYRAZOLIDINECARBOXYLATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-05 US disclosed
US-7442799-B2 reacting succinic acid derivatives with substituted hydrazines in presence of acid scavengers and solvents, to form chemical intermediates for benzoxazinones; cyclization E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-28 US disclosed
US-7339057-B2 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-04 US disclosed
US-7276601-B2 Method and preparing fused oxazinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-02 US disclosed
US-20070021468-A1 Preparation and use of 2-substituted-5-oxo-3-pyrazolidinecarboxylates FMC CORPORATION 2007-01-25 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 (5 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-20150094474-A1 AGRICULTURAL CHEMICALS DDT, SQOR, GPX4 KDM5A 588/4885KDM4C 468/4885KDM5B 970/4885
US-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KDM5A 3655/4885KDM4C 3495/4885KDM5B 3757/4885
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 KDM5A 32/4885KDM4C 126/4885KDM5B 99/4885
US-20070021468-A1 Preparation and use of 2-substituted-5-oxo-3-pyrazolidinecarboxylates HRH2, OGDH, HRH1 KDM5A 289/4885KDM4C 290/4885KDM5B 141/4885
US-20090036686-A1 PREPARATION AND USE OF 2-SUBSTITUTED-5-OXO-3-PYRAZOLIDINECARBOXYLATES HRH2, HRH3, HRH1 KDM5A 271/4885KDM4C 272/4885KDM5B 145/4885

“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.