SCHEMBL12376645

SCHEMBL12376645

CC(C)(C)NC(=O)c1ncc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
SSTR3 P32745 1/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
NPY5R Q15761 1/20 0.41
SCN2A Q99250 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DYRK1A Q13627 1/20 0.40
MASP2 O00187 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 1/20 0.39
NQO2 P16083 1/20 0.39
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL12376642 0.78 CAPN1 (0.52) RIPK1RAB9AMAPTEGLN1ALDH1A1
SCHEMBL18438835 0.70 SSTR3 (0.45) SSTR3RAB9AMAPTNPY5RSCN2A
SCHEMBL27992257 0.68 SCN2A (0.55) RAB9AMAPTNPY5RSCN2AMASP2
SCHEMBL12376693 0.68 ADORA2A (0.59) KDM4EALDH1A1LMNA
SCHEMBL13555912 0.67 HIF1A (0.56) RAB9AMAPTEGLN1KDM4EALDH1A1
SCHEMBL2209084 0.66 MASP2 (0.61) RAB9AMAPTNPY5RSCN2AKDM4E
SCHEMBL10202148 0.66 ALDH1A1 (0.55) ALDH1A1LMNADGAT1FEN1
SCHEMBL28599650 0.66 ALDH1A1 (0.46) RIPK1KDM4EALDH1A1DYRK1ALMNA
SCHEMBL28584809 0.66 ALDH1A1 (0.49) RIPK1KDM4EALDH1A1DYRK1ALMNA
SCHEMBL18480651 0.66 SSTR3 (0.49) SSTR3NPY5RSCN2ADGAT1SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC RIPK1 2517/4885SSTR3 1659/4885RAB9A 2056/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 RIPK1 1755/4885SSTR3 340/4885RAB9A 2498/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 RIPK1 1755/4885SSTR3 340/4885RAB9A 2498/4885

“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.