SCHEMBL18926990

SCHEMBL18926990

Cc1ccc2c(cnn2CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.48
▸ CCNC P24863 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ KMO O15229 1/20 0.44
▸ STING1 Q86WV6 1/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41

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
SCHEMBL18918040 0.86 BRD4 (0.50) BRD4DYRK1ASTING1CNR2
SCHEMBL31294757 0.84 GLS (0.55) BRD4DYRK1ASTING1CNR2STK17B
SCHEMBL31746641 0.83 BRD4 (0.52) BRD4STING1
SCHEMBL31746501 0.82 BRD4 (0.51) BRD4STING1
SCHEMBL31746582 0.82 STING1 (0.55) BRD4STING1CNR2
SCHEMBL24376372 0.80 BRD4 (0.48) BRD4KMOSTING1CNR2
SCHEMBL26910983 0.79 BRD4 (0.47) BRD4KMOSTING1CNR2
SCHEMBL16931162 0.78 GLS (0.57) BRD4KMO
SCHEMBL18935520 0.76 BRD4 (0.49) BRD4CCNCCDK8DYRK1A
SCHEMBL31130030 0.76 BRD4 (0.39) BRD4DYRK1AKMOSTING1STK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS BRD4 359/4885CCNC 348/4885CDK8 399/4885

“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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