SCHEMBL4243217

SCHEMBL4243217

O=C(Nc1cncnc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 1.00
NAMPT P43490 3/20 0.69
JAK2 O60674 1/20 0.65
TYK2 P29597 1/20 0.65
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KCNK3 O14649 3/20 0.58
PTPN1 P18031 2/20 0.58
KCNK9 Q9NPC2 1/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
SIRT1 Q96EB6 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL4429268 0.85 BCAT2 (0.73) BCAT2NAMPTJAK2TYK2NPC1
SCHEMBL19520187 0.84 LMNA (0.81) BCAT2NAMPTNPC1RAB9ASMN1; SMN2
SCHEMBL22594469 0.83 EPHX1 (0.71) BCAT2NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30423427 0.83 BCAT2 (0.71) BCAT2NAMPTJAK2TYK2NPC1
SCHEMBL29151224 0.81 BCAT2 (0.69) BCAT2NAMPTNPC1RAB9AMAPT
SCHEMBL167081 0.81 NAMPT (1.00) BCAT2NAMPTNPC1RAB9AKCNK3
Hydrochloric Acid SCHEMBL27890956 0.80 NAMPT (0.97) BCAT2NAMPTNPC1RAB9AKCNK3
SCHEMBL19662798 0.80 NT5E (0.70) BCAT2NPC1RAB9AKCNK3KCNK9
SCHEMBL19662757 0.80 BCAT2 (0.66) BCAT2LMNAHIF1AKCNQ3KCNQ2
SCHEMBL24202631 0.79 SIRT1 (0.83) JAK2TYK2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4545517-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-04-30 EP disclosed
WO-2023246867-A1 NAV1.8 INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-28 WO disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
EP-3334727-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-06-20 EP disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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 (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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP BCAT2 3212/4885NAMPT 945/4885JAK2 84/4885

“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.