SCHEMBL15618545

SCHEMBL15618545

CCCc1cc2c(O)ncnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.42
▸ ADORA2A P29274 1/20 0.40
▸ PDGFRB P09619 1/20 0.37
▸ CCNK O75909 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDR P35968 7/20 0.35
▸ EGFR P00533 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MPO P05164 1/20 0.34
▸ TPO P07202 1/20 0.34
▸ LPO P22079 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TAS2R38 P59533 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ VCP P55072 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK4 Q16654 1/20 0.32

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
SCHEMBL18342027 0.86 PARP1 (0.35) PDGFRBCCNKCDK12HCAR2KDR
SCHEMBL3647958 0.73 TRPA1 (0.44) KIT
SCHEMBL9048053 0.71 ABL1 (0.35) EGFRKIT
SCHEMBL15828666 0.69 IKBKB (0.38) KIT
SCHEMBL24541944 0.68 ADORA1 (0.43) ADORA1ADORA2ACCNKCDK12KDM5A
SCHEMBL20536455 0.67 PDK2 (0.38) ADORA1ADORA2APDGFRBCCNKCDK12
SCHEMBL26677299 0.66 — —
SCHEMBL22502463 0.66 IKBKB (0.38) EGFRKDM4EKIT
SCHEMBL15062514 0.66 DAO (0.46) EGFRTSHRCYP2C19KDM4ELMNA
SCHEMBL2231375 0.65 NOS2 (0.41) HCAR2TSHRCYP2C19KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897957-A1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2015-07-29 — — EP disclosed
WO-2014044691-A1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-03-27 — — WO disclosed
US-20100113606-A1 AMINOPROPANOL MODULATORS OF BETA-1 ADRENERGIC RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 — — 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-20100113606-A1 AMINOPROPANOL MODULATORS OF BETA-1 ADRENERGIC RECEPTOR ADRB1, ADRB2, ADRB3 ADORA1 31/4885ADORA2A 72/4885PDGFRB 350/4885

“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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