SCHEMBL1443987

SCHEMBL1443987

COc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.56
▸ XDH P47989 1/20 0.56
▸ POLA1 P09884 1/20 0.44
▸ CDK1 P06493 4/20 0.44
▸ CCNB1 P14635 4/20 0.44
▸ CCNA2 P20248 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CCNA1 P78396 4/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL30677864 0.80 PDPK1 (0.58) PDPK1POLA1CDK1CCNB1CCNA2
SCHEMBL9503859 0.79 PDPK1 (0.56) PDPK1POLA1CDK1CCNB1CCNA2
Methylguanine SCHEMBL231097 0.79 CDK1 (0.69) PDPK1CDK1CCNB1CCNA2CDK2
Methylguanine SCHEMBL29903462 0.79 CDK1 (0.69) PDPK1CDK1CCNB1CCNA2CDK2
SCHEMBL6268751 0.76 CDK1 (0.69) XDHCDK1CCNB1CCNA2CDK2
SCHEMBL4451634 0.76 XDH (0.61) PDPK1XDHDPP4KDM4ETMIGD3
SCHEMBL37384 0.75 DPP4 (0.66) PDPK1XDHDPP4KDM4ETMIGD3
SCHEMBL4525142 0.75 PDPK1 (0.51) PDPK1POLA1CDK1CCNB1CCNA2
SCHEMBL7437649 0.73 PIN1 (0.71) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8719273 0.73 DPP4 (0.63) PDPK1XDHPOLA1DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof ACURX PHARMACEUTICALS, LLC 2022-01-27 — — US disclosed
EP-2475252-B1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC (US) 2016-11-16 — — EP disclosed
EP-2475252-B1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC (US) 2016-11-16 — — EP disclosed
CN-103788160-B (2R, 5R)-5-phosphatidyl methoxy-2-(2-substituted adenines-9-base)-2,5-dihydrofuran nucleoside analog and its production and use 郑州大学 2016-07-06 — — CN disclosed
US-8796292-B2 Selective antibacterials for clostridium difficile infections GLSYNTHESIS INC. (US) 2014-08-05 — — US disclosed
US-8796292-B2 Selective antibacterials for clostridium difficile infections GLSYNTHESIS INC. (US) 2014-08-05 — — US disclosed
US-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS ACURX PHARMACEUTICALS, LLC 2012-09-13 — — US disclosed
US-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS ACURX PHARMACEUTICALS, LLC 2012-09-13 — — US disclosed
EP-2475252-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS Glsynthesis Inc. (US) 2012-07-18 — — EP disclosed
WO-2011031935-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC. (US) 2011-03-17 — — WO 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 (2 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-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS MRPL21, RPN2, ALPI PDPK1 3556/4885XDH 355/4885POLA1 3253/4885
US-20220024925-A1 Deuterium-Substituted 7-Substituted-2-(Benzylamino)-6-Ozopurine Compounds and Uses Thereof DUT, DCTD, TPMT PDPK1 3185/4885XDH 75/4885POLA1 1227/4885

“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.

Send feedback