SCHEMBL23320392

SCHEMBL23320392

O=C(NCc1ccncc1)Nc1ccc2c(c1)OC(c1ccccc1)C2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ NAMPT P43490 14/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ IMPDH2 P12268 1/20 0.49

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
SCHEMBL24042553 0.87 NAMPT (0.58) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL24042532 0.84 ALDH1A1 (0.55) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL30943178 0.84 ALDH1A1 (0.55) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL24042531 0.84 ALDH1A1 (0.55) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL24042589 0.84 ALDH1A1 (0.55) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL24042551 0.78 ALDH1A1 (0.60) ALDH1A1RAB9AHTTNAMPTROCK2
SCHEMBL24042586 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AHTTNAMPT
SCHEMBL30943283 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AHTTNAMPT
SCHEMBL30943210 0.76 HTT (0.53) ALDH1A1RAB9AHTTNAMPTROCK2
Hydrochloric Acid SCHEMBL28623968 0.75 HTT (0.54) ALDH1A1RAB9AHTTNAMPTROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 — — US claimed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — US claimed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP claimed
US-12263159-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2025-04-01 — — US disclosed
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2024-08-29 — — US disclosed
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 — — US disclosed
EP-3818053-B1 FUSED RING COMPOUND HAVING UREA STRUCTURE SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-03-29 — — EP disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — US disclosed
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2021-11-25 — — 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 (4 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-12263159-B2 Fused ring compound having urea structure NAMPT, NME4, NDUFAB1 ALDH1A1 1608/4885RAB9A 854/4885HTT 190/4885
US-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT ALDH1A1 1751/4885RAB9A 871/4885HTT 199/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT ALDH1A1 1751/4885RAB9A 871/4885HTT 199/4885
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, NDUFAB1 ALDH1A1 1608/4885RAB9A 854/4885HTT 190/4885

“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.

Send feedback