SCHEMBL1621795

SCHEMBL1621795

COc1ccc2c(c1)ncn2COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.54
CSF1R P07333 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AGER Q15109 1/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1621828 0.90 ALDH1A1 (0.54) FGFR1CSF1RALDH1A1KDM4EHTT
SCHEMBL6047768 0.84 CYP11B1 (0.60) FGFR1CSF1RALDH1A1KDM4ENPC1
SCHEMBL3049751 0.82 MAPT (0.55) FGFR1ALDH1A1RAB9ASMN1; SMN2HSD17B10
SCHEMBL2377813 0.82 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL1623128 0.81 AGER (0.64) ALDH1A1ALOX15SMN1; SMN2HTTCYP1A2
SCHEMBL19848376 0.81 FGFR1 (0.54) FGFR1CSF1RALDH1A1KDM4ENPC1
SCHEMBL22533983 0.77 FGFR1 (0.51) FGFR1CSF1RALDH1A1KDM4ENPC1
SCHEMBL3055818 0.77 PKM (0.69) FGFR1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL6758619 0.76 NPC1 (0.65) FGFR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL19911343 0.75 FGFR1 (0.54) FGFR1CSF1RALDH1A1KDM4ENPC1

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-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 FGFR1 883/4885CSF1R 965/4885ALDH1A1 2271/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 FGFR1 846/4885CSF1R 790/4885ALDH1A1 1421/4885

“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.