SCHEMBL2987800

SCHEMBL2987800

Fc1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.58
▸ CHUK O15111 7/20 0.58
▸ CIT O14578 1/20 0.51
▸ CSNK1D P48730 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ MAPT P10636 5/20 0.44
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ NUDT1 P36639 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL2988682 0.76 IKBKB (0.79) IKBKBCHUKCIT
SCHEMBL14279310 0.75 IKBKB (0.70) IKBKBCHUKCITSYKDYRK1A
SCHEMBL2991675 0.74 IKBKB (0.60) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL3412839 0.73 IKBKB (1.00) IKBKBCHUKCIT
SCHEMBL2991988 0.73 IKBKB (0.80) IKBKBCHUKCIT
SCHEMBL2988012 0.73 IKBKB (0.80) IKBKBCHUKCIT
SCHEMBL2989356 0.73 IKBKB (0.60) IKBKBCHUKCIT
SCHEMBL2990293 0.73 IKBKB (0.60) IKBKBCHUKCIT
SCHEMBL2994708 0.72 IKBKB (0.51) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL2986432 0.72 IKBKB (0.51) IKBKBCHUKCITCSNK1DMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 — — US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 — — US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 — — US disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 — — 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 (1 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 IKBKB 11/4885CHUK 22/4885CIT 843/4885

“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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