SCHEMBL440282

SCHEMBL440282

COc1cc(N2CCN(C)CC2)ccc1NC(N)=NC(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
MAP3K7 O43318 1/20 0.47
SIRT6 Q8N6T7 1/20 0.44
FLT3 P36888 1/20 0.43
DYRK1A Q13627 1/20 0.43
HTR6 P50406 2/20 0.42
EGFR P00533 3/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
PLK1 P53350 1/20 0.41
CCNA1 P78396 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
SCHEMBL443851 0.82 IRAK4 (0.50) NPC1RAB9APOLBIRAK4MAP3K7
Alcohol SCHEMBL440281 0.78 EGFR (0.48) NPC1RAB9APOLBIRAK4MAP3K7
SCHEMBL17837354 0.77 IRAK4 (0.55) NPC1RAB9APOLBIRAK4MAP3K7
SCHEMBL3503526 0.77 EGFR (0.61) NPC1RAB9APOLBIRAK4MAP3K7
SCHEMBL18177719 0.76 SIRT6 (0.52) IRAK4MAP3K7SIRT6DYRK1AHTR6
SCHEMBL30605716 0.76 SIRT6 (0.55) NPC1RAB9APOLBIRAK4MAP3K7
SCHEMBL12718983 0.75 SIRT6 (0.56) NPC1RAB9APOLBIRAK4MAP3K7
SCHEMBL14980815 0.73 IGF1R (0.49) MAPTALDH1A1ALK
SCHEMBL13243994 0.72 SIRT6 (0.63) NPC1RAB9APOLBSIRT6HTR6
SCHEMBL17857107 0.72 IRAK4 (0.51) NPC1RAB9APOLBIRAK4MAP3K7

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
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP disclosed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-15 US disclosed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP disclosed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO 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 (1 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-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS PHKG1, PPM1A, PRKAG1 NPC1 636/4885RAB9A 2139/4885POLB 1205/4885

“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.