SCHEMBL12748610

SCHEMBL12748610

OC1CCCN(CCCOc2ccc3cc(-c4n[nH]c5c4SCC5)[nH]c3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
HTR1A P08908 1/20 0.38
LTA4H P09960 2/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 2/20 0.36
KDR P35968 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
AURKA O14965 1/20 0.36
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL12748912 0.91 FGFR1 (0.38) HRH3FGFR1FLT1CLK2CLK3
SCHEMBL12747977 0.90 KDR (0.44) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL13354349 0.88 HRH3 (0.49) HRH3HRH1FGFR1FLT1CLK2
SCHEMBL1623222 0.82 ITK (0.45) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL13886336 0.81 HRH3 (0.49) HRH3HRH1FGFR1FLT1CLK2
SCHEMBL1623698 0.79 ITK (0.50) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL1621731 0.77 LCK (0.48) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL1622691 0.76 HRH3 (0.43) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL12717720 0.76 ITK (0.47) HRH3HRH2HRH1FGFR1FLT1
SCHEMBL13886592 0.75 ITK (0.36) HRH3KDRAURKA

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH3 884/4885HRH2 547/4885HRH1 952/4885

“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.