SCHEMBL441164

SCHEMBL441164

Nc1cc2c(cc1N)C(=O)N(c1cccnc1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CYP11B2 P19099 7/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ELANE P08246 1/20 0.46
CYP11B1 P15538 5/20 0.46
AR P10275 1/20 0.45
RECQL P46063 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HSPA1A P0DMV8 1/20 0.42
PABPC1 P11940 1/20 0.42
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
CCR9 P51686 1/20 0.41

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
SCHEMBL441165 0.85 KDM4E (0.64) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL4122353 0.83 HTT (0.70) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL16862943 0.83 HTT (0.69) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL30140692 0.82 HTT (1.00) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL18589024 0.82 HTT (0.73) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL22668259 0.81 HTT (0.77) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL16862998 0.75 HTT (0.67) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL16863005 0.75 HTT (0.54) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL16862961 0.74 HTT (0.53) HTTGAAMAPTHSD17B10MAPK1
SCHEMBL9145770 0.72 MAPK1 (0.61) HTTGAAMAPTHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 HTT 3423/4885GAA 402/4885MAPT 2605/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 HTT 3423/4885GAA 402/4885MAPT 2605/4885

“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.