SCHEMBL1374427

SCHEMBL1374427

Nc1ncc(C(F)(F)F)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PNP P00491 1/20 0.34
AR P10275 2/20 0.34
PARP1 P09874 1/20 0.34
HCAR1 Q9BXC0 3/20 0.33
XDH P47989 2/20 0.33
ASPH Q12797 1/20 0.33
MASP2 O00187 1/20 0.33

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
SCHEMBL19770361 0.80 KDM4E (0.37) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL1373788 0.76 MASP2 (0.33) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11542411 0.72
SCHEMBL12820646 0.72
SCHEMBL7513080 0.70
SCHEMBL20589156 0.70 MASP2 (0.38) KDM4EALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL22188751 0.70 MASP2 (0.38) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL162683 0.68
SCHEMBL3256572 0.68
SCHEMBL9653828 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 EP disclosed
US-8785464-B2 Pyrimidine derivatives that inhibit FAK/PTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20140038993-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 US disclosed
US-20110288109-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
EP-2367799-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-09-28 EP disclosed
WO-2010058030-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 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-20110288109-A1 NEW COMPOUNDS MKI67, CCNA1, CCNT1 KDM4E 3513/4885ALDH1A1 248/4885HSD17B10 1972/4885
US-20140038993-A1 NEW COMPOUNDS MKI67, CCNA1, CCNT1 KDM4E 3398/4885ALDH1A1 218/4885HSD17B10 2071/4885

“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.