SCHEMBL10104546

SCHEMBL10104546

Cc1cc(OC(F)(F)F)cc(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 2/20 0.46
PRKDC P78527 3/20 0.45
PIK3CA P42336 2/20 0.44
AKT1 P31749 1/20 0.44
MTOR P42345 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
DDR1 Q08345 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10104342 0.83 FFAR4 (0.51) FFAR4KDM4EDDR1MAPTMEN1
SCHEMBL19457814 0.82 ADRB1 (0.53) FFAR4DDR1MAPTALDH1A1
SCHEMBL3754363 0.82 PRKDC (0.45) LMNAPRKDCPIK3CAAKT1MTOR
SCHEMBL14032316 0.81 PRKDC (0.52) FFAR4LMNAPRKDCKDM4EMAPT
SCHEMBL28195198 0.80 PRKDC (0.55) LMNAPRKDCPIK3CAAKT1MTOR
SCHEMBL10104356 0.79 TSHR (0.54) FFAR4KDM4EDDR1MAPTALDH1A1
SCHEMBL10104358 0.78 FFAR4 (0.47) FFAR4LMNADDR1ALDH1A1
SCHEMBL28195870 0.78 PRKDC (0.56) FFAR4LMNAPRKDCPIK3CAAKT1
SCHEMBL12865181 0.78 LMNA (0.61) LMNAPRKDCKDM4EMAPTMEN1
SCHEMBL19007325 0.78 LMNA (0.66) LMNAKDM4EMAPTMEN1USP2

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 4204/4885LMNA 993/4885PRKDC 4592/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885LMNA 180/4885PRKDC 3100/4885

“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.