SCHEMBL3785803

SCHEMBL3785803

c1cn2ccc(N3CCCC3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
CHKA P35790 1/20 0.42
F10 P00742 1/20 0.42
AOC3 Q16853 1/20 0.42
SUV39H2 Q9H5I1 7/20 0.41
QPCT Q16769 2/20 0.41
TERT O14746 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
OGA O60502 1/20 0.38

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
SCHEMBL26438713 0.85 TLR9 (0.48) HRH3SUV39H2QPCTHRH4
SCHEMBL13407684 0.85 HRH3 (0.45) HRH3F10AOC3SUV39H2
SCHEMBL31696699 0.85 MEN1 (0.51) HRH3F10AOC3SUV39H2HRH4
SCHEMBL26437646 0.82 HRH3 (0.54) HRH3F10AOC3SUV39H2QPCT
SCHEMBL26438459 0.81 HRH3 (0.65) HRH3F10AOC3SUV39H2QPCT
SCHEMBL12758907 0.79 HRH3 (0.41) HRH3F10AOC3QPCTPIK3C3
SCHEMBL26437884 0.79 SUV39H2 (0.47) HRH3F10AOC3SUV39H2
SCHEMBL26437555 0.78 HRH3 (0.45) HRH3F10AOC3SUV39H2QPCT
SCHEMBL26438620 0.78 AOC3 (0.42) HRH3F10AOC3SUV39H2QPCT
SCHEMBL26437436 0.77 HRH3 (0.49) HRH3F10AOC3SUV39H2QPCT

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-8076354-B2 Bicyclic heterocyclic compounds as protein tyrosine kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-12-13 US disclosed
US-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2010-12-30 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-20100331296-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BMX, CDK1 HRH3 1041/4885CHKA 870/4885F10 762/4885

“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.