SCHEMBL14244829

SCHEMBL14244829

Nc1cc2ccc(-c3c(Cl)cccc3Cl)cc2cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.52
SRC P12931 3/20 0.52
PDPK1 O15530 1/20 0.50
ABL1 P00519 11/20 0.48
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
BACE1 P56817 2/20 0.41
FGFR4 P22455 1/20 0.41
BRAF P15056 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
SCHEMBL15402135 0.91 ABL1 (0.59) FGFR1SRCPDPK1ABL1JAK2
SCHEMBL15402640 0.90 ABL1 (0.48) FGFR1SRCPDPK1ABL1JAK2
SCHEMBL15401823 0.86 ABL1 (0.60) FGFR1SRCPDPK1ABL1JAK2
SCHEMBL14244690 0.85 ABL1 (0.60) FGFR1SRCPDPK1ABL1BACE1
SCHEMBL14244969 0.83 ABL1 (0.63) FGFR1SRCPDPK1ABL1JAK2
SCHEMBL14244761 0.81 BACE1 (0.60) PDPK1ABL1JAK2BACE1
SCHEMBL14245101 0.81 ALOX5AP (0.55) PDPK1ABL1BACE1BRAF
SCHEMBL14244888 0.78 ABL1 (0.57) FGFR1SRCPDPK1ABL1BRAF
SCHEMBL14244881 0.77 ABL1 (0.56) PDPK1ABL1BACE1BRAF
SCHEMBL5491730 0.76 LCK (0.55) FGFR1SRCABL1JAK2TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8623889-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2014-01-07 US disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 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 (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-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 FGFR1 2768/4885SRC 3120/4885PDPK1 4737/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 FGFR1 2768/4885SRC 3120/4885PDPK1 4737/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 FGFR1 2768/4885SRC 3120/4885PDPK1 4737/4885

“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.