SCHEMBL12376736

SCHEMBL12376736

CC(C)(C)NC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
FGFR1 P11362 7/20 0.51
NOTUM Q6P988 1/20 0.50
MTOR P42345 1/20 0.50
SRC P12931 6/20 0.47
PDGFRB P09619 5/20 0.47
PDGFRA P16234 5/20 0.47
EGFR P00533 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR4 P22455 2/20 0.47
FGFR3 P22607 2/20 0.47
MAP3K7 O43318 1/20 0.46
MAP3K6 O95382 1/20 0.46
MAP3K5 Q99683 1/20 0.46
WNT3A P56704 1/20 0.46
MAPK1 P28482 2/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL2319091 0.79 NOTUM (0.56) CHEK1NOTUMMTOREGFRMAP3K7
SCHEMBL13101606 0.79 ABL1 (0.57) CHEK1NOTUMMTORMAP3K7MAP3K6
SCHEMBL12410299 0.79 PIK3CA (0.57) CHEK1NOTUMMTORMAPK1
SCHEMBL28166698 0.78 GSK3B (0.60) CHEK1NOTUMMTORMAP3K7MAP3K6
SCHEMBL30636341 0.78 GSK3B (0.60) CHEK1NOTUMMTORMAP3K7MAP3K6
SCHEMBL2841751 0.77 NOTUM (0.57) CHEK1NOTUMMTORMAP3K7MAP3K6
SCHEMBL177776 0.77 RAB9A (0.63) CHEK1NOTUMMTORPDGFRBPDGFRA
SCHEMBL2549206 0.76 CHEK1 (0.55) CHEK1NOTUMMTORWNT3AKDM4E
SCHEMBL14185051 0.75 CYP1A2 (0.48) CHEK1NOTUMMTOREGFRWNT3A
SCHEMBL8432118 0.75 EGLN1 (0.52) MTORPDGFRBPDGFRAEGFRCSF1R

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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 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 CHEK1 404/4885FGFR1 28/4885NOTUM 2701/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK CHEK1 436/4885FGFR1 34/4885NOTUM 4744/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 CHEK1 575/4885FGFR1 25/4885NOTUM 4356/4885

“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.