SCHEMBL1089893

SCHEMBL1089893

O=C(c1ccc(F)cc1)N1CCCC(N2CCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK12 Q9NYV4 12/20 0.53
▸ CCNK O75909 11/20 0.53
▸ CXCR4 P61073 1/20 0.47
▸ CCNA2 P20248 7/20 0.43
▸ CDK2 P24941 7/20 0.43
▸ CDK7 P50613 7/20 0.43
▸ CCNH P51946 7/20 0.43
▸ MNAT1 P51948 7/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ CLPP Q16740 1/20 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
SCHEMBL1090298 0.97 CDK12 (0.55) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1090868 0.96 CDK12 (0.54) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1089125 0.91 CDK12 (0.55) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1089722 0.91 CXCR4 (0.55) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1089223 0.91 L3MBTL1 (0.53) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1089792 0.91 CDK12 (0.51) CDK12CCNKCXCR4KMT2AMEN1
SCHEMBL1090686 0.90 HTT (0.48) CDK12CCNKCXCR4KMT2AMEN1
SCHEMBL1090729 0.89 CDK12 (0.53) CDK12CCNKCXCR4CCNA2CDK2
SCHEMBL1090502 0.89 CDK12 (0.53) CDK12CCNKCXCR4KMT2AMEN1
SCHEMBL1091167 0.89 L3MBTL1 (0.55) CDK12CCNKCXCR4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 — — US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 — — US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 — — US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 — — 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885CXCR4 1/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885CXCR4 1/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885CXCR4 1/4885

“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.

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