SCHEMBL439776

SCHEMBL439776

CC(C)N1C(=O)c2cc(N)c(N)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTK2 Q05397 1/20 0.30
HTT P42858 1/20 0.30
CYP19A1 P11511 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL452426 0.80 CYP1A2 (0.44) TDP1LMNAALDH1A1TSHRHSD17B10
SCHEMBL1950000 0.79 ANPEP (0.55) ANPEPTDP1LMNANPC1ALDH1A1
SCHEMBL17300647 0.77 BCL2 (0.41) ANPEPTDP1USP2LMNAALDH1A1
SCHEMBL774006 0.77
SCHEMBL20988074 0.75 USP2 (0.36) ANPEPUSP2LMNANPC1ALDH1A1
SCHEMBL16017646 0.74 USP2 (0.44) TDP1USP2LMNAALDH1A1CASP1
SCHEMBL12534610 0.74 USP2 (0.33) TDP1USP2LMNA
SCHEMBL31259865 0.74 DPP4 (0.51) USP2LMNANPC1ALDH1A1RAB9A
SCHEMBL5326245 0.74 DPP4 (0.51) USP2LMNANPC1ALDH1A1RAB9A
SCHEMBL441644 0.73 MEN1 (0.47) USP2ALDH1A1HSD17B10PTK2

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 ANPEP 1916/4885TDP1 282/4885USP2 1396/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 ANPEP 1916/4885TDP1 282/4885USP2 1396/4885

“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.