SCHEMBL5951859

SCHEMBL5951859

COc1ccc2c(c1)ncn2C(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.52
HCAR3 P49019 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL18937429 0.87 FGFR1 (0.55) FGFR1HCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL5952386 0.84 FGFR1 (0.49) FGFR1HCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL19848232 0.82 FGFR1 (0.50) FGFR1HCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4700068 0.78 FGFR1 (0.49) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL230452 0.75 FGFR1 (0.59) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL18937229 0.74 ALDH1A1 (0.55) FGFR1HCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL4580483 0.73 FGFR1 (0.58) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19848367 0.73 FGFR1 (0.59) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL19911343 0.73 FGFR1 (0.54) FGFR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL250816 0.73 MEN1 (0.64) FGFR1HCAR3MAPTSMN1; SMN2HPGD

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 FGFR1 583/4885HCAR3 3093/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FGFR1 254/4885HCAR3 3436/4885ALDH1A1 862/4885

“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.