SCHEMBL4569763

SCHEMBL4569763

CCc1ccnc2c1ccn2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ CAMKK1 Q8N5S9 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ MAP4K1 Q92918 3/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL6909950 0.84 KDM4E (0.46) NOTUMCAMKK1CAMKK2UTS2RFEN1
SCHEMBL4569776 0.84 NOTUM (0.37) NOTUMCAMKK1CAMKK2UTS2RABL1
SCHEMBL31083856 0.82 NOTUM (0.43) NOTUMCAMKK1CAMKK2UTS2RFEN1
SCHEMBL15077816 0.81 NOTUM (0.38) NOTUMCAMKK1CAMKK2UTS2RFEN1
SCHEMBL13180257 0.80 DYRK1A (0.37) DYRK1APDE4APDE4BPDE4CPDE4D
SCHEMBL23114403 0.77 PTGS2 (0.30) —
SCHEMBL18852737 0.77 TNKS (0.31) —
SCHEMBL23133621 0.76 CNR1 (0.41) DYRK1APDE4APDE4BPDE4CPDE4D
SCHEMBL23103466 0.75 GRM1 (0.38) CAMKK1CAMKK2
SCHEMBL256209 0.75 CCR1 (0.45) NOTUMCAMKK1CAMKK2ABL1BCR

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-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 — — US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 — — 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 NOTUM 3480/4885CAMKK1 2071/4885CAMKK2 2366/4885

“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.

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