SCHEMBL669279

SCHEMBL669279

CC(C)(C)c1ccc(Oc2ccc(Nc3ncc(F)c(CCc4ccccc4)n3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GFER P55789 1/20 0.45
SYK P43405 4/20 0.43
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GALR3 O60755 1/20 0.41
EGFR P00533 3/20 0.41
ITK Q08881 2/20 0.39
ULK1 O75385 1/20 0.39
GLO1 Q04760 1/20 0.39
FLT4 P35916 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39

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
SCHEMBL670921 0.78 AURKA (0.46) ALDH1A1SYKEGFRITKULK1
SCHEMBL10125387 0.76 FLT4 (0.48) ALDH1A1SYKITKULK1FLT4
SCHEMBL669492 0.76 AURKA (0.59) ALDH1A1SYKEGFRITKULK1
SCHEMBL669475 0.75 CHEK1 (0.54) ALDH1A1SYKMEN1CASP1CASP7
SCHEMBL22531105 0.74 PKM (0.57) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL15023605 0.73 FLT4 (0.49) ALDH1A1SYKEGFRITKFLT4
SCHEMBL15039208 0.72 GAA (0.45) MAPTRAB9AKDM4EEGFRULK1
SCHEMBL22531079 0.69 RAB9A (0.56) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL12937249 0.68 RAB9A (0.67) PKMMAPTRAB9AHTTALDH1A1
SCHEMBL17681614 0.68 RAB9A (0.61) PKMMAPTRAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP claimed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US claimed
EP-2606034-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS Merck Patent GmbH (DE) 2013-06-26 EP claimed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US claimed
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 WO claimed
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP disclosed
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP disclosed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 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 (1 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-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS CDK2, PTK2, CDKN1A PKM 1289/4885MAPT 4098/4885RAB9A 1750/4885

“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.