SCHEMBL4921908

SCHEMBL4921908

O=[N+]([O-])c1cc(F)c(Cl)cc1Nc1ncnc2[nH]cnc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.35
▸ EGFR P00533 5/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ KDR P35968 4/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL4921915 0.83 BRD4 (0.48) KDRLMNA
SCHEMBL4920195 0.81 KDR (0.40) RXFP1KCNMA1EGFRKDRKMT2A
SCHEMBL4916526 0.79 RXFP1 (0.33) RXFP1EGFRKDRMAPTKMT2A
SCHEMBL4925535 0.77 ABCG2 (0.46) EGFRMAPTKMT2AABCG2LMNA
SCHEMBL4921814 0.77 RXFP1 (0.35) RXFP1EGFRKDRMAPTKMT2A
SCHEMBL4921888 0.76 EGFR (0.54) EGFRMAPTKMT2AABCG2
SCHEMBL4915778 0.75 TTBK1 (0.38) EGFRKDRLMNA
SCHEMBL4917949 0.74 BRAF (0.35) RXFP1EGFRKDRMAPTKMT2A
SCHEMBL4916427 0.74 KCNMA1 (0.41) KCNMA1EGFRKDRMAPTKMT2A
SCHEMBL4921940 0.73 GRM4 (0.48) EGFRGRM4KDR

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
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 — — EP claimed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 — — WO claimed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 — — US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 — — US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 — — US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 — — US disclosed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 — — EP disclosed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 — — 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-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 RXFP1 3784/4885KCNMA1 3811/4885EGFR 533/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 RXFP1 3907/4885KCNMA1 3800/4885EGFR 1550/4885

“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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