SCHEMBL444453

SCHEMBL444453

COc1cc(C(=O)NC2CCCCN2C)ccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MEN1 O00255 2/20 0.44
ALPL P05186 1/20 0.44
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
CYP2D6 P10635 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
SCHEMBL442143 0.86 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1TSHRBRD4
SCHEMBL410671 0.81 AURKA (0.52) KMT2ABRD4TAF1
SCHEMBL1559733 0.75 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1TSHRCYP2C9
SCHEMBL2145012 0.72 PLK1 (0.53) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL3143526 0.70 KMT2A (0.74) KMT2AMEN1ALPLNPC1RAB9A
Hydrochloric Acid SCHEMBL9639562 0.70 KMT2A (0.70) KMT2AMEN1ALPLNPC1RAB9A
SCHEMBL11687058 0.70 KMT2A (0.74) KMT2AMEN1ALPLNPC1RAB9A
SCHEMBL410669 0.70 CA1 (0.69) RAB9AALDH1A1TSHRHTTCYP2C9
SCHEMBL2401169 0.69 CARM1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9639435 0.69 KMT2A (0.72) KMT2AMEN1ALPLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668190-B1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-17 EP disclosed
US-9309253-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-04-12 US disclosed
EP-2303891-B1 PYRAZOLO-QUINAZOLINES AS PROTEIN KINASE ACTIVITY MODULATORS SERVIER LAB (FR) 2016-02-17 EP disclosed
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-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-05-21 US disclosed
US-8975267-B2 Tricyclic pyrrolo derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-10 US disclosed
US-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 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
EP-2668190-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP disclosed
EP-2667947-A1 UV-PHOTO-PROTECTING COSMETIC COMPOSITION Momentive Performance Materials GmbH (DE) 2013-12-04 EP disclosed
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-07 US disclosed
WO-2012101204-A1 UV-PHOTO-PROTECTING COSMETIC COMPOSITION MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2012-08-02 WO disclosed
WO-2012101032-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 WO 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
US-20110105542-A1 PYRAZOLO--QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 US disclosed
EP-2303891-A1 PYRAZOLO-QUINAZOLINES Nerviano Medical Sciences S.r.l. (IT) 2011-04-06 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
WO-2009156315-A1 PYRAZOLO-QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-12-30 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 (4 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-20150141408-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K6 KMT2A 2273/4885TAS1R3 4771/4885TAS1R1 4725/4885
US-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 KMT2A 4211/4885TAS1R3 3815/4885TAS1R1 2601/4885
US-20120065192-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS PHKG1, PPM1A, PRKAG1 KMT2A 3066/4885TAS1R3 3941/4885TAS1R1 3374/4885
US-20130296305-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K5 KMT2A 2723/4885TAS1R3 4740/4885TAS1R1 4575/4885

“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.