SCHEMBL410671

SCHEMBL410671

COc1cc(C(=O)NC2CCN(C)CC2)ccc1I

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
LRRK2 Q5S007 2/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
BRD4 O60885 5/20 0.50
MCHR1 Q99705 2/20 0.50
BRDT Q58F21 1/20 0.49
TAF1 P21675 2/20 0.49
PTK2 Q05397 1/20 0.49
KMT2A Q03164 1/20 0.48
DCLK1 O15075 1/20 0.48
MAPK7 Q13164 1/20 0.48
IGF1R P08069 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL16972143 0.87 PTPN7 (0.56) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL9964598 0.86 BRD4 (0.55) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL15082471 0.85 AURKA (0.57) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL738237 0.85 HTR4 (0.53) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL22280231 0.83 LRRK2 (0.55) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL21473640 0.83 PTK2 (0.56) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL14817995 0.82 UTS2R (0.48) KMT2A
SCHEMBL13880647 0.82 AURKA (0.52) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL736393 0.81 SIRT6 (0.52) AURKAAURKBLRRK2ROCK2ROCK1
SCHEMBL444453 0.81 KMT2A (0.44) BRD4TAF1KMT2A

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 6 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-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
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
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 AURKA 430/4885AURKB 349/4885LRRK2 568/4885

“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.