SCHEMBL3351059

SCHEMBL3351059

Nc1cnc(C2CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.40
SCN9A Q15858 2/20 0.36
SCN2B O60939 1/20 0.36
SCN1A P35498 1/20 0.36
SCN1B Q07699 1/20 0.36
SCN5A Q14524 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL23612043 0.85 OPRL1 (0.38) OPRL1SCN9ASCN2BSCN1ASCN1B
SCHEMBL30020682 0.85 OPRL1 (0.38) OPRL1SCN9ASCN2BSCN1ASCN1B
SCHEMBL23580186 0.83 OPRL1 (0.33) OPRL1CYP3A4ALDH1A1
SCHEMBL23612056 0.80 MAP3K12 (0.34) OPRL1
SCHEMBL29988917 0.80 MAP3K12 (0.34) OPRL1
SCHEMBL365252 0.80 OPRL1 (0.40) OPRL1SCN9ASCN2BSCN1ASCN1B
SCHEMBL23623010 0.78 DRD2 (0.42) OPRL1
SCHEMBL31378832 0.78 TDO2 (0.33)
SCHEMBL23623006 0.77 OPRL1 (0.33) OPRL1
SCHEMBL3371065 0.76 GRM4 (0.32) OPRL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-19 US disclosed
EP-4673436-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-01-07 EP disclosed
WO-2024179948-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-09-06 WO disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
US-20220162187-A1 PYRIDINE RINGS CONTAINING DERIVATIVES AS MALT1 INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-05-26 US disclosed
WO-2020208222-A1 PYRIDINE RINGS CONTAINING DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-10-15 WO disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK OPRL1 1538/4885SCN9A 885/4885SCN2B 379/4885
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS PKN3, PKMYT1, IP6K3 OPRL1 3531/4885SCN9A 1743/4885SCN2B 1335/4885
US-20220162187-A1 PYRIDINE RINGS CONTAINING DERIVATIVES AS MALT1 INHIBITORS MALT1, SQSTM1, PPP3R1 OPRL1 4596/4885SCN9A 2663/4885SCN2B 2566/4885

“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.