SCHEMBL18286283

SCHEMBL18286283

COc1cccc(C(=O)c2cnc(NCc3ccc(N4CCN(C)CC4)cc3)nc2)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 17/20 0.76
CCNK O75909 1/20 0.51
CCND3 P30281 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
DRD4 P21917 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR2 Q92731 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL21064265 0.86 VNN1 (1.00) VNN1DRD4USP2MAPTMAPK1
SCHEMBL18286317 0.82 VNN1 (1.00) VNN1
SCHEMBL18286303 0.81 VNN1 (1.00) VNN1
SCHEMBL20185848 0.78 VNN1 (1.00) VNN1
SCHEMBL27688672 0.75 CDK4 (0.78) VNN1
SCHEMBL20185822 0.75 VNN1 (1.00) VNN1
SCHEMBL14633091 0.73 BRD4 (0.60) VNN1KMT2A
SCHEMBL29194695 0.73 DRD2 (0.65) VNN1CCNKCCND3CDK9CDK6
SCHEMBL30245855 0.73 DRD2 (0.65) VNN1CCNKCCND3CDK9CDK6
SCHEMBL18286268 0.73 VNN1 (1.00) VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US claimed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US claimed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US claimed
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP claimed
WO-2016193844-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2016-12-08 WO claimed
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 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 (3 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-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, VAT1, CMA1 VNN1 1/4885CCNK 3377/4885CCND3 3546/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 VNN1 1/4885CCNK 3510/4885CCND3 3626/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 VNN1 1/4885CCNK 2882/4885CCND3 3170/4885

“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.