SCHEMBL6294683

SCHEMBL6294683

O=c1ccnc(-c2cccnc2)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
BTK Q06187 1/20 0.57
NPY5R Q15761 7/20 0.56
HPGDS O60760 2/20 0.51
CYP2A6 P11509 2/20 0.50
PNP P00491 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL30060621 1.00 KMT2A (0.58) KMT2ABTKNPY5RHPGDSCYP2A6
SCHEMBL1133436 0.81 GAA (0.50) KMT2ABTKNPY5RHPGDMAPT
SCHEMBL7454459 0.77 PDE3B (0.50) NPY5RHPGDSHPGDMAPTALDH1A1
SCHEMBL6889908 0.75 NPY5R (0.55) BTKNPY5RHPGDSHPGDMAPT
SCHEMBL17810406 0.73 NPY5R (0.62) BTKNPY5RHPGDSCYP2A6ALDH1A1
SCHEMBL30814200 0.73 NOTUM (0.60) KMT2ABTKNPY5RCYP2A6ALDH1A1
SCHEMBL20752581 0.73 NPY5R (0.62) KMT2ANPY5RHPGDSCYP2A6
SCHEMBL30176417 0.73 NOTUM (0.60) KMT2ABTKNPY5RCYP2A6ALDH1A1
SCHEMBL1129657 0.72 ALDH1A1 (0.39) KMT2ABTKHPGDALDH1A1
SCHEMBL3829517 0.72 HRH1 (0.51) NPY5RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769722-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
EP-2769722-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
CN-1351497-A Aminopyrimidines as sorbitol dehydrogenase inhibitors PFIZER PROD INC (US) 2002-05-29 CN disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KMT2A 3908/4885BTK 4676/4885NPY5R 3506/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KMT2A 4011/4885BTK 4705/4885NPY5R 3325/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KMT2A 4011/4885BTK 4705/4885NPY5R 3325/4885

“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.