SCHEMBL219145

SCHEMBL219145

Nc1cc(OCC(F)(F)F)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL3020319 0.76 — —
SCHEMBL4012905 0.76 MAOB (0.51) KMT2A
SCHEMBL31068051 0.75 KMT2A (0.38) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL4011220 0.73 MAOB (0.57) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL28111052 0.73 HCAR2 (0.45) L3MBTL1
SCHEMBL4075899 0.72 HSD17B10 (0.41) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL6420160 0.71 SMN1; SMN2 (0.61) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL17351776 0.70 MAPT (0.44) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL1396265 0.70 CDK1 (0.36) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL31080659 0.70 GAA (0.40) ALDH1A1MAPTHSD17B10GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945631-B1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-08-08 — — EP disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 — — US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 — — US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 — — EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 — — US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 — — US disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 — — US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 — — EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 — — 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 (3 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-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 ALDH1A1 1215/4885KMT2A 1276/4885MAPT 2710/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 ALDH1A1 1212/4885KMT2A 1335/4885MAPT 2778/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 ALDH1A1 1215/4885KMT2A 1276/4885MAPT 2710/4885

“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.

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