SCHEMBL3894441

SCHEMBL3894441

Cn1c(=O)c2cncnc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.47
GRM4 Q14833 1/20 0.46
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
PIK3CD O00329 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
NTSR1 P30989 1/20 0.44
MC3R P41968 1/20 0.44
NOTUM Q6P988 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
GDA Q9Y2T3 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
ATAD2 Q6PL18 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL22016243 0.82 GRM4 (0.42) MAPTALDH1A1KMT2AGRM4ADORA2A
SCHEMBL29733156 0.78 MAPK1 (0.53) ALDH1A1KMT2AGRM4CYP2C19CYP1A2
SCHEMBL13172843 0.78 PI4KA (0.41) ALDH1A1KMT2AGRM4KDM4ECYP2C19
SCHEMBL20182678 0.77 KDM4E (0.44) MAPTALDH1A1KMT2AGRM4RXFP1
SCHEMBL23471442 0.77 CYP1A2 (0.40) MAPTALDH1A1KMT2AGRM4CYP2C19
SCHEMBL12251819 0.77 HSD17B10 (0.55) MAPTALDH1A1KMT2AADORA2AADORA2B
SCHEMBL10372566 0.74 KMT2A (0.54) MAPTALDH1A1KMT2AADORA2AADORA2B
SCHEMBL18009509 0.74 GRM4 (0.47) ALDH1A1KMT2AGRM4CYP2C19HIF1A
SCHEMBL18256689 0.73 PARG (0.41) ALDH1A1KMT2AGRM4CYP2C19PDE4D
SCHEMBL10373098 0.73 KMT2A (0.52) MAPTALDH1A1KMT2AADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 WO disclosed
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-0163599-B1 PYRIMIDOPYRIMIDINE DERIVATIVES, PROCESSES FOR PRODUCING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-ALLERGIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1990-03-21 EP disclosed
US-4886807-A TREATMENT OF BRONCHIAL ASTHMA, URTICARIA, ALLERGIC RHINITIS, ALLERGIC DERMATOSES OR ALLERGIC CONJUCTIVITIS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0163599-A2 Pyrimidopyrimidine derivatives, processes for producing them, pharmaceutical compositions containing them and their use as anti-allergic agents NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1985-12-04 EP 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-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV MAPT 3329/4885ALDH1A1 1424/4885KMT2A 1903/4885
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A MAPT 669/4885ALDH1A1 380/4885KMT2A 3573/4885
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A MAPT 620/4885ALDH1A1 379/4885KMT2A 3576/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A MAPT 620/4885ALDH1A1 379/4885KMT2A 3576/4885
US-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 MAPT 2323/4885ALDH1A1 1860/4885KMT2A 3273/4885

“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.