SCHEMBL1408802

SCHEMBL1408802

Cc1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HPGD P15428 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
P2RX1 P51575 2/20 0.48
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
ACKR3 P25106 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27708003 0.83 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28770492 0.83 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1408451 0.82 MEN1 (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1409161 0.82 KDR (0.47) TRPV1P2RX1ACKR3
SCHEMBL1449042 0.77 KMT2A (0.55) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29877893 0.77 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29878811 0.77 MAPT (0.60) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7820503 0.77 CYP1A2 (0.68) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29877516 0.76 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL100511 0.76 RAB9A (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786799-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE Natco Pharma Limited (IN) 2007-05-23 EP claimed
WO-2006027795-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2006-03-16 WO 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-1786799-B1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LTD (IN) 2012-07-04 EP 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-7910598-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 NATCO PHARMA LIMITED (IN) 2011-03-22 US disclosed
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 disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US disclosed
CN-101068805-A Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LTD (IN) 2007-11-07 CN disclosed
US-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase NATCO PHARMA LIMITED (IN) 2007-10-04 US disclosed
EP-1786799-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE Natco Pharma Limited (IN) 2007-05-23 EP disclosed
WO-2006027795-A1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2006-03-16 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 (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-20070232633-A1 Novel phenylaminopyrimidine derivatives as inhibitors of BCR-ABL kinase ABL1, ABL2, BCR MAPT 4071/4885RAB9A 2761/4885SMN1; SMN2 3960/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR MAPT 3099/4885RAB9A 2568/4885SMN1; SMN2 2748/4885

“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.