SCHEMBL18935520

SCHEMBL18935520

Cc1ccc2c(ccn2CCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.49
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL18935522 0.92 MTNR1A (0.51) BRD4CCNCCDK8DYRK1AMTNR1A
SCHEMBL18918073 0.86 CYP2A6 (0.43) BRD4HDAC6HDAC1HDAC8MGLL
SCHEMBL17997425 0.84 MTNR1A (0.60) BRD4HDAC6DYRK1AHDAC1HDAC8
SCHEMBL17294058 0.82 CYP2A6 (0.44) BRD4DYRK1AMTNR1AMTNR1BDRD2
SCHEMBL18938904 0.82 MTNR1A (0.44) BRD4DYRK1AMTNR1AMTNR1BDRD2
SCHEMBL18927041 0.82 BRD4 (0.49) BRD4DYRK1AMTNR1AMTNR1BDRD2
SCHEMBL18917851 0.81 BRD4 (0.51) BRD4MGLLMTNR1AMTNR1B
SCHEMBL3417837 0.79 MTNR1A (0.50) BRD4MTNR1AMTNR1B
SCHEMBL28180030 0.79 CCNC (0.42) BRD4CCNCCDK8DYRK1ADRD2
SCHEMBL20436342 0.78 HTR2A (0.45) HDAC6HDAC1HDAC8MTNR1AMTNR1B

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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