SCHEMBL1358751

SCHEMBL1358751

Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
LMNA P02545 3/20 0.70
MAPK1 P28482 2/20 0.70
ATM Q13315 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.55
P2RX1 P51575 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL31524108 0.91 MAPT (0.79) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL374408 0.89 RAB9A (0.65) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL29878324 0.87 MAPT (0.63) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL1408801 0.87 MAPT (0.63) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL1456071 0.86 MAPT (0.58) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL31151736 0.85 MAPT (0.62) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL1408857 0.83 MAPT (0.64) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL4829609 0.83 MAPT (0.67) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL17103383 0.83 CSF1R (0.64) MAPTRAB9ANPC1LMNAMAPK1
SCHEMBL29878811 0.82 MAPT (0.60) MAPTRAB9ANPC1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295424-B1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2015-10-14 EP claimed
US-8067422-B2 Crystal form of phenylamino pyrimidine derivatives NATCO PHARMA LIMITED (IN) 2011-11-29 US claimed
EP-2295424-A1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase Natco Pharma Limited (IN) 2011-03-16 EP claimed
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2009-09-10 US claimed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US claimed
EP-2295424-B1 Processes for the preparation of novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2015-10-14 EP disclosed
EP-2265599-B1 CRYSTAL FORM OF PHENYLAMINOPYRIMIDINE DERIVATIVE NATCO PHARMA LTD (IN) 2013-11-20 EP disclosed
CN-102015681-B Crystal form of phenylamino pyrimidine derivatives NATCO PHARMA LTD 2013-08-28 CN disclosed
US-8183253-B2 Condensing (3-trifluoromethylsulfonyl) benzoyl chloride and 4-methyl-2-nitro-aniline; reducing nitro group with stannous chloride; condensing amino group with cyanamide; cyclocondensing guanidine group with 3-dimethylamino-1-pyridin-3-yl-propenone; antiproliferative agents; chronic myeloid leukemia NATCO PHARMA LIMITED (IN) 2012-05-22 US disclosed
US-8067422-B2 Crystal form of phenylamino pyrimidine derivatives NATCO PHARMA LIMITED (IN) 2011-11-29 US disclosed
EP-2265599-A2 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVE Natco Pharma Limited (IN) 2010-12-29 EP disclosed
WO-2009109867-A2 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2009-09-11 WO disclosed
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2009-09-10 US disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 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-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR MAPT 3099/4885RAB9A 2568/4885NPC1 3258/4885
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES WEE1, TP53, CDKN1A MAPT 1254/4885RAB9A 890/4885NPC1 2392/4885

“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.