SCHEMBL10104491

SCHEMBL10104491

COCCN(C)Cc1cc(C)cc(C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
FGFR1 P11362 1/20 0.34
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CRHR1 P34998 2/20 0.30
MAP4K4 O95819 1/20 0.30
PIK3CD O00329 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL10104510 0.87 SLC6A2 (0.36) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL10104499 0.85 SLC6A2 (0.34) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL10104520 0.71 TACR1 (0.40) MEN1KMT2AALDH1A1MAP4K4
SCHEMBL10104519 0.69 HTT (0.35) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL15587418 0.69 MAP4K4 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL10104537 0.66 SLC6A4 (0.37) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL10104451 0.65 NOS3 (0.35) SLC6A4CRHR1
SCHEMBL10104503 0.64 CYP3A4 (0.39) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL30994140 0.64 SYK (0.33)
SCHEMBL10104402 0.63 HTR2A (0.33) ALDH1A1CRHR1

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 MEN1 254/4885KMT2A 3151/4885ALDH1A1 175/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MEN1 1575/4885KMT2A 3531/4885ALDH1A1 860/4885

“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.