SCHEMBL10104402

SCHEMBL10104402

Cc1cc(N(C)C)c(F)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ACP1 P24666 1/20 0.33
AR P10275 2/20 0.32
CRHR1 P34998 1/20 0.31
NOTUM Q6P988 1/20 0.31
SYK P43405 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10104338 0.79
SCHEMBL3894397 0.74 RAPGEF4 (0.36) HTR2AHTR2CHTR2BARSYK
SCHEMBL13550091 0.74 RAPGEF4 (0.40) HTR2AHTR2CHTR2BARSYK
SCHEMBL12017814 0.73 NOTUM (0.44) ACP1ARCRHR1NOTUMSYK
SCHEMBL20457524 0.73 ACP1 (0.36) ACP1ARCRHR1NOTUMSYK
SCHEMBL10104408 0.73 NOS3 (0.42) HTR2AHTR2CHTR2BPOLB
SCHEMBL10104398 0.71 NOS3 (0.38) HTR2AHTR2CHTR2BAR
SCHEMBL24343525 0.71 SMN1; SMN2 (0.40) HTR2AHTR2CHTR2BARALDH1A1
SCHEMBL19268220 0.71 RAPGEF4 (0.41) HTR2AHTR2CHTR2BNOTUMALDH1A1
SCHEMBL24996139 0.68 GPBAR1 (0.34) ACP1CRHR1NOTUM

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
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
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
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 HTR2A 3601/4885HTR2C 2640/4885HTR2B 3010/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 HTR2A 4089/4885HTR2C 2673/4885HTR2B 3179/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 HTR2A 2935/4885HTR2C 2276/4885HTR2B 1280/4885

“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.