SCHEMBL4334757

SCHEMBL4334757

O=C(O)NC1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.51
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
SMO Q99835 3/20 0.44
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL18228251 0.92 CCNC (0.53) TRPV1CCNCCDK8
SCHEMBL27834290 0.92 CCNC (0.53) TRPV1CCNCCDK8
SCHEMBL16620510 0.92 CCNC (0.53) TRPV1CCNCCDK8
SCHEMBL28788119 0.86 TRPV1 (0.47) TRPV1CCNCCDK8
SCHEMBL15413225 0.85 BTK (0.53) TRPV1CCNCCDK8MEN1KMT2A
SCHEMBL20507486 0.84 HRH3 (0.61) CCNCCDK8SMOCKS1BSKP1
SCHEMBL30398406 0.83 SMO (0.52) TRPV1SMOCKS1BSKP1SKP2
SCHEMBL28382261 0.83 SMO (0.52) TRPV1SMOCKS1BSKP1SKP2
SCHEMBL3370146 0.82 CKS1B (0.59) TRPV1CKS1BSKP1SKP2
SCHEMBL14810701 0.82 LMNA (0.57) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 US disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (2 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK TRPV1 1707/4885CCNC 708/4885CDK8 286/4885
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 TRPV1 4401/4885CCNC 2670/4885CDK8 1225/4885

“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.