SCHEMBL10104499

SCHEMBL10104499

COCCN(C)Cc1cc(C)cc(C(F)(F)F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
FGFR1 P11362 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CRHR1 P34998 2/20 0.30
DRD1 P21728 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 0.86 SLC6A2 (0.36) SLC6A2SLC6A4FGFR1HTTMEN1
SCHEMBL10104491 0.85 MEN1 (0.35) SLC6A2SLC6A4FGFR1HTTMEN1
SCHEMBL10104537 0.83 SLC6A4 (0.37) SLC6A2SLC6A4MEN1ALDH1A1GAA
SCHEMBL10104519 0.80 HTT (0.35) SLC6A2SLC6A4HTTMEN1ALDH1A1
SCHEMBL10104522 0.73 MAPT (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL14885781 0.72 ACHE (0.46) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10104520 0.70 TACR1 (0.40) MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL10104525 0.67 MEN1 (0.44) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL4941008 0.65 ACHE (0.43) SLC6A2SLC6A4MEN1ALDH1A1GAA
SCHEMBL15587418 0.65 MAP4K4 (0.47) HTTMEN1ALDH1A1GAAMAPT

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 SLC6A2 3599/4885SLC6A4 4238/4885FGFR1 64/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 SLC6A2 2780/4885SLC6A4 1991/4885FGFR1 209/4885

“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.