SCHEMBL23320390

SCHEMBL23320390

COc1cc(-n2nc3cc(NC(=O)O)ccc3c2Cl)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL28637402 0.87 ATR (0.39) CNR1RAB9ANPC1LMNAKMT2A
SCHEMBL28620742 0.81 MAT2A (0.32) CNR1RAB9AFAAHLMNAMEN1
SCHEMBL30943207 0.78 GAK (0.36) —
SCHEMBL23320397 0.78 GAK (0.36) —
SCHEMBL15880285 0.73 SORT1 (0.55) CNR1KCNK3KCNK9SCN10AFAAH
SCHEMBL23320405 0.73 LRRK2 (0.37) LRRK2
SCHEMBL23320377 0.70 NAMPT (0.45) —
SCHEMBL30943196 0.70 NAMPT (0.45) —
SCHEMBL23320403 0.68 LRRK2 (0.31) LRRK2ELOVL1
SCHEMBL15832233 0.63 ALDH1A1 (0.43) RAB9ANPC1LMNAHPGDMEN1

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 4 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 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
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP 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 (2 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-20210361636-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, ABAT CNR1 2752/4885RAB9A 871/4885KCNK3 1644/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT CNR1 2752/4885RAB9A 871/4885KCNK3 1644/4885

“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.

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