SCHEMBL15032327

SCHEMBL15032327

CC(C)(C)N1C[C@@H]2CC[C@H](CC1=O)N2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ HSD11B1 P28845 1/20 0.40
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32
▸ CHRNA6 Q15825 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31

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
SCHEMBL14681906 1.00 POLB (0.47) POLBHSD11B1CHRNB2CHRNA3CHRNA4
SCHEMBL15032328 1.00 POLB (0.47) POLBHSD11B1CHRNB2CHRNA3CHRNA4
SCHEMBL14681914 0.81 POLB (0.44) POLB
SCHEMBL16487528 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL16625653 0.78 HSD11B1 (0.33) HSD11B1
SCHEMBL15034401 0.75 BRD4 (0.42) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15034405 0.75 BRD4 (0.42) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL16487712 0.75 BRD4 (0.42) HSD11B1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL12425568 0.72 CHRNB2 (0.33) POLBHSD11B1CHRNB2CHRNA3CHRNA4
SCHEMBL20418793 0.70 POLB (0.44) POLBHSD11B1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 — — US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 — — US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 — — US disclosed
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 (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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 POLB 720/4885HSD11B1 2450/4885CHRNB2 4867/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 POLB 667/4885HSD11B1 2556/4885CHRNB2 4868/4885

“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.

Send feedback