SCHEMBL10104544

SCHEMBL10104544

Cc1cc(OC(F)(F)F)cc(N2CCC(N(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.47
MAPK7 Q13164 1/20 0.44
MCHR1 Q99705 2/20 0.42
NOTUM Q6P988 1/20 0.42
DDR1 Q08345 1/20 0.41
HTR2A P28223 1/20 0.39
SOS1 Q07889 2/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
BTK Q06187 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
CSF1R P07333 1/20 0.37
SETD2 Q9BYW2 1/20 0.36
CHRM4 P08173 1/20 0.36
CASR P41180 2/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL10104267 0.81 FFAR4 (0.46) FFAR4MCHR1NOTUMSOS1MAPK8
SCHEMBL10104305 0.81 FFAR4 (0.46) FFAR4MCHR1NOTUMSOS1MAPK8
SCHEMBL10104306 0.81 FFAR4 (0.46) FFAR4MCHR1NOTUMSOS1MAPK8
SCHEMBL15315556 0.76 HRH4 (0.40) FFAR4MCHR1SOS1MAPK8MAPK10
SCHEMBL24596867 0.75 NOTUM (0.56) FFAR4NOTUMDDR1PIM1PIM3
SCHEMBL10104342 0.74 FFAR4 (0.51) FFAR4DDR1
SCHEMBL14980549 0.74 NOTUM (0.57) MCHR1NOTUMHTR2ASOS1MAPK8
SCHEMBL14924424 0.73 MCHR1 (0.49) MCHR1
SCHEMBL14450799 0.73 MCHR1 (0.49) MCHR1
SCHEMBL27389111 0.73 MCHR1 (0.49) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 FFAR4 4204/4885MAPK7 1173/4885MCHR1 1015/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885MAPK7 1242/4885MCHR1 3560/4885

“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.