SCHEMBL15401823

SCHEMBL15401823

Nc1cc2ccc(-c3c(Cl)cccc3C(F)(F)F)cc2cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.60
FGFR1 P11362 2/20 0.44
SRC P12931 2/20 0.44
PIK3CD O00329 1/20 0.43
TRPA1 O75762 1/20 0.41
PDPK1 O15530 1/20 0.41
BACE1 P56817 1/20 0.40
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
BRAF P15056 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CDK2 P24941 1/20 0.36
AKT1 P31749 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
SCHEMBL14244829 0.86 FGFR1 (0.52) ABL1FGFR1SRCPDPK1BACE1
SCHEMBL15402640 0.83 ABL1 (0.48) ABL1FGFR1SRCPDPK1JAK2
SCHEMBL15402135 0.81 ABL1 (0.59) ABL1FGFR1SRCPDPK1JAK2
SCHEMBL14244690 0.76 ABL1 (0.60) ABL1FGFR1SRCPDPK1BACE1
SCHEMBL14297849 0.76 ABL1 (1.00) ABL1JAK2TYK2
Cyclopropane SCHEMBL18887393 0.76 ABL1 (0.78) ABL1JAK2TYK2
SCHEMBL14245101 0.75 ALOX5AP (0.55) ABL1TRPA1PDPK1BACE1BRAF
SCHEMBL14244969 0.74 ABL1 (0.63) ABL1FGFR1SRCTRPA1PDPK1
SCHEMBL14244888 0.72 ABL1 (0.57) ABL1FGFR1SRCPDPK1BRAF
SCHEMBL14244761 0.72 BACE1 (0.60) ABL1PDPK1BACE1JAK2

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 546/4885FGFR1 2768/4885SRC 3120/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 ABL1 546/4885FGFR1 2768/4885SRC 3120/4885

“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.