SCHEMBL441644

SCHEMBL441644

CN1C(=O)c2cc(N)c(N)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP3 P42574 1/20 0.43
APP P05067 7/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ATAD2 Q6PL18 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL4870220 0.84 APP (0.42) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL9400279 0.84 APP (0.42) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL441279 0.78 TDP1 (0.47) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL7941648 0.78 MEN1 (0.40) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL23934280 0.75 MEN1 (0.41) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL9525319 0.74 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL17193079 0.74 APP (0.48) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL17316947 0.73 MEN1 (0.40) MEN1KMT2AUSP2ATMKEAP1
SCHEMBL439776 0.73 ANPEP (0.34) USP2ALDH1A1HSD17B10PTK2
SCHEMBL22080458 0.72 HSD17B10 (0.44) MEN1KMT2AUSP2ATMALDH1A1

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 8 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
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 MEN1 3978/4885KMT2A 1137/4885USP2 1396/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 MEN1 3978/4885KMT2A 1137/4885USP2 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.