SCHEMBL868006

SCHEMBL868006

Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.77
PDGFRA P16234 12/20 0.77
BCR P11274 7/20 0.77
PDGFRB P09619 5/20 0.77
EGFR P00533 1/20 0.77
PRKCA P17252 1/20 0.77
KIT P10721 6/20 0.70
KDR P35968 2/20 0.70
ABL2 P42684 1/20 0.69
BRAF P15056 1/20 0.68
MAPK14 Q16539 1/20 0.68

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
SCHEMBL29441265 1.00 ABL1 (0.77) ABL1PDGFRABCRPDGFRBEGFR
Hydrochloric Acid SCHEMBL868161 0.99 ABL1 (0.76) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL869136 0.97 ABL1 (0.72) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL1415439 0.96 ABL1 (0.74) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL12744294 0.96 ABL1 (0.75) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL5185763 0.94 ABL1 (0.83) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL3533176 0.94 ABL1 (0.75) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL1408815 0.93 ABL1 (0.77) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL1408876 0.93 ABL1 (0.75) ABL1PDGFRABCRPDGFRBEGFR
SCHEMBL20652847 0.93 ABL1 (0.66) ABL1PDGFRABCRPDGFRBEGFR

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 EP claimed
CN-108495620-B Pharmaceutical compositions comprising phenylaminopyrimidine derivatives 纳科制药有限公司 2021-09-03 CN claimed
EP-3389633-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE NATCO PHARMA LTD (IN) 2021-07-14 EP claimed
US-10383872-B2 Pharmaceutical compositions comprising phenylaminopyrimidine derivative NATCO PHARMA LTD (IN) 2019-08-20 US claimed
US-10350209-B2 2019-07-16 US claimed
US-20190015412-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE NATCO PHARMA LTD (IN) 2019-01-17 US claimed
EP-3389633-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE Natco Pharma Limited (IN) 2018-10-24 EP claimed
CN-108495620-A Pharmaceutical compositions comprising phenylaminopyrimidine derivatives 纳科制药有限公司 2018-09-04 CN claimed
US-9895367-B2 Formulation comprising phenylaminopyrimidine derivative as active agent NATCO PHARMA LIMITED (IN) 2018-02-20 US claimed
WO-2017103941-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE NATCO PHARMA LTD (IN) 2017-06-22 WO claimed
WO-2012120328-A1 FORMULATION COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE AS ACTIVE AGENT NATCO PHARMA LIMITED (IN) 2012-09-13 WO claimed
EP-1786799-B1 NOVEL PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LTD (IN) 2012-07-04 EP claimed
US-20120077833-A1 ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2012-03-29 US claimed
US-8067422-B2 Crystal form of phenylamino pyrimidine derivatives NATCO PHARMA LIMITED (IN) 2011-11-29 US claimed
US-20110190328-A1 ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE NATCO PHARMA LIMITED (IN) 2011-08-04 US claimed
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 claimed
EP-2265599-A2 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVE Natco Pharma Limited (IN) 2010-12-29 EP claimed
WO-2009109867-A2 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES NATCO PHARMA LIMITED (IN) 2009-09-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10383872-B2 Pharmaceutical compositions comprising phenylaminopyrimidine derivative NAPRT, NRDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ABL1 537/4885PDGFRA 451/4885BCR 443/4885
US-20190015412-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PHENYLAMINOPYRIMIDINE DERIVATIVE NAPRT, NRDC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ABL1 537/4885PDGFRA 451/4885BCR 443/4885
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR ABL1 1/4885PDGFRA 113/4885BCR 3/4885
US-20110190328-A1 ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE SLC30A5, DNPEP, PAICS ABL1 198/4885PDGFRA 8/4885BCR 2506/4885
US-20120077833-A1 ACID ADDITION SALTS OF (3,5-BIS TRIFLUOROMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2YLAMINO)-PHENYL]-BENZAMIDE CA9, SLC30A5, SLC6A19 ABL1 157/4885PDGFRA 21/4885BCR 2453/4885
US-20090227611-A1 CRYSTAL FORM OF PHENYLAMINO PYRIMIDINE DERIVATIVES WEE1, TP53, CDKN1A ABL1 386/4885PDGFRA 253/4885BCR 2362/4885
US-10350209-B2 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR2C2, NR4A1 ABL1 1953/4885PDGFRA 1417/4885BCR 587/4885

“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.