SCHEMBL15401689

SCHEMBL15401689

Nc1cc2ccc(-c3cc(F)ccc3Cl)cc2cn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.71
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PDPK1 O15530 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL14244506 0.85 ABL1 (0.52) ABL1PDPK1BACE1
SCHEMBL14244384 0.85 ABL1 (0.74) ABL1PDPK1BACE1
SCHEMBL9938161 0.83 ABL1 (1.00) ABL1
SCHEMBL14244969 0.81 ABL1 (0.63) ABL1ALOX5APFEN1PDPK1BACE1
SCHEMBL14244726 0.80 ABL1 (1.00) ABL1
SCHEMBL559391 0.79 ABL1 (0.64) ABL1PDPK1BACE1
SCHEMBL14244888 0.76 ABL1 (0.57) ABL1ALOX5APFEN1PDPK1
SCHEMBL14244661 0.76 ABL1 (0.61) ABL1PDPK1
SCHEMBL14246417 0.75 ABL1 (0.66) ABL1ALOX5APFEN1PDPK1BACE1
SCHEMBL14244891 0.75 ABL1 (0.72) ABL1

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
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP claimed
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US claimed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US 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-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 ABL1 546/4885ALOX5AP 2271/4885FEN1 2617/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ABL1 546/4885ALOX5AP 2271/4885FEN1 2617/4885

“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.