SCHEMBL15034401

SCHEMBL15034401

CN1C[C@@H]2CC[C@H](CC1=O)N2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.42
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ CHRNA6 Q15825 1/20 0.35
▸ SRD5A1 P18405 2/20 0.33
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL15034405 1.00 BRD4 (0.42) BRD4DDB1CRBNCHRNB2CHRNA3
SCHEMBL16487712 1.00 BRD4 (0.42) BRD4DDB1CRBNCHRNB2CHRNA3
SCHEMBL31341710 0.85 BRD4 (0.44) BRD4DDB1CRBNCHRNB2CHRNA3
SCHEMBL7706923 0.79 BRD4 (0.39) BRD4DDB1CRBNPDE4APDE4B
SCHEMBL12425568 0.76 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15032327 0.75 POLB (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14681906 0.75 POLB (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15032328 0.75 POLB (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21483393 0.71 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15999685 0.67 BRD4 (0.52) BRD4DDB1CRBNSRD5A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 — — 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-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 BRD4 118/4885DDB1 635/4885CRBN 1232/4885

“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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