SCHEMBL14733010

SCHEMBL14733010

CN(c1ncccc1CNc1ncnc2[nH]ccc12)S(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 18/20 1.00
CLK2 P49760 1/20 0.55
AURKB Q96GD4 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
PTK2B Q14289 1/20 0.48
SRPK1 Q96SB4 1/20 0.48

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
SCHEMBL14733008 0.85 PTK2 (1.00) PTK2SRPK1
SCHEMBL14733097 0.83 PTK2 (1.00) PTK2SRPK1
SCHEMBL14733022 0.82 PTK2 (1.00) PTK2SRPK1
SCHEMBL14733020 0.79 PTK2 (1.00) PTK2SRPK1
SCHEMBL12586298 0.74 PTK2 (0.58) PTK2PTK2BSRPK1
SCHEMBL17971184 0.73 PTK2 (0.58) PTK2PTK2BSRPK1
SCHEMBL13055175 0.72 PTK2 (0.57) PTK2PTK2BSRPK1
SCHEMBL29051725 0.72 PTK2 (0.58) PTK2PTK2BSRPK1
SCHEMBL408023 0.71 PTK2 (0.54) PTK2PTK2BSRPK1
SCHEMBL11987598 0.71 PTK2 (0.55) PTK2PTK2BSRPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US claimed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US claimed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249140-B2 Bicyclic heteroaromatic compounds MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
US-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-08-06 US disclosed
WO-2013026516-A1 BICYCLIC HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-02-28 WO 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-20150218155-A1 BICYCLIC HETEROAROMATIC COMPOUNDS CDK1, CDK2, CDK4 PTK2 1291/4885CLK2 207/4885AURKB 143/4885

“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.