SCHEMBL3024073

SCHEMBL3024073

CCc1c[nH]c(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.39
PGR P06401 1/20 0.37
BCAT2 O15382 1/20 0.36
ALDH1A1 P00352 10/20 0.34
KDM4E B2RXH2 8/20 0.34
HPGD P15428 7/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 4/20 0.34
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 4/20 0.32
CYP1A2 P05177 2/20 0.31
FPR1 P21462 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL6257137 0.80 MAPT (0.47) KDM5ABCAT2ALDH1A1KDM4EHPGD
SCHEMBL24500465 0.74 CCNC (0.40) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL3022981 0.72
SCHEMBL3017797 0.72 GPR84 (0.33)
SCHEMBL2941224 0.72 KDM4E (0.35) PGRALDH1A1KDM4EHPGDMAPT
SCHEMBL5173932 0.72
SCHEMBL23074728 0.72
SCHEMBL10226576 0.71 CYP2A6 (0.42) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL27669772 0.70 CCNC (0.31) CCNCCDK8
SCHEMBL2741755 0.70 DPYD (0.39) ALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461165-B2 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD (CN) 2013-06-11 US disclosed
EP-1634883-B1 2-SUBSTITUTED PHENYL-5,7-DIALKYL-3,7-DIHYDROPYRROLE[2,3-D] PYRIMIDINE-4-ONE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL G (CN) 2010-12-15 EP disclosed
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-08-12 US disclosed
US-7745433-B2 2-Substituted phenyl-5, 7-dihydrocarbyl-3, 7-dihydropyrrolo [2, 3-D] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof Yangtze River Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US disclosed
US-7741483-B2 Process for making substituted pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of phosphodiesterase 5 YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-06-22 US disclosed
US-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof TIANJIN TASLY GROUP CO., LTD (CN) 2008-07-10 US disclosed
US-20060173025-A1 2-Substituted phenyl-5,7-dialkyl-3,7-dihydropyrrole [2,3-d]pyrimidine-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2006-08-03 US disclosed
EP-1634883-A1 2-SUBSTITUTED PHENYL-5,7-DIALKYL-3,7-DIHYDROPYRROLE[2,3-D]PYRIMIDINE-4-ONE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Tianjin Tasly Group Co., Ltd. (CN) 2006-03-15 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 (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-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3B, PDE2A KDM5A 191/4885PGR 1132/4885BCAT2 4429/4885
US-20060173025-A1 2-Substituted phenyl-5,7-dialkyl-3,7-dihydropyrrole [2,3-d]pyrimidine-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3B, PDE2A KDM5A 221/4885PGR 1700/4885BCAT2 4441/4885
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3A, PDE2A KDM5A 129/4885PGR 1200/4885BCAT2 4411/4885

“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.