SCHEMBL18286222

SCHEMBL18286222

Brc1ccc(NCc2cncnc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
PKM P14618 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
GFER P55789 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL12640326 0.80 NPC1 (0.50) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL18286277 0.78 NPC1 (0.53) NPC1RAB9AVNN1
SCHEMBL23609081 0.78 ALDH1A1 (0.62) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL1266734 0.78 NPC1 (0.62) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL12640325 0.76 NPC1 (0.56) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL1266913 0.74 NPC1 (0.58) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL1083657 0.74 NPC1 (0.62) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1
SCHEMBL12477520 0.74 CXCR4 (0.70) NPC1ALDH1A1KDM4ERAB9AMEN1
SCHEMBL29379149 0.74 CXCR4 (0.70) NPC1ALDH1A1KDM4ERAB9AMEN1
SCHEMBL28780861 0.73 NPC1 (0.57) SMN1; SMN2NPC1ALDH1A1KDM4EMAPK1

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 9 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 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-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
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP disclosed
WO-2016193844-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2016-12-08 WO 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 SMN1; SMN2 3862/4885NPC1 1266/4885ALDH1A1 256/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 SMN1; SMN2 3147/4885NPC1 1440/4885ALDH1A1 228/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 SMN1; SMN2 3720/4885NPC1 1097/4885ALDH1A1 168/4885

“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.