SCHEMBL21463586

SCHEMBL21463586

Cc1cn(COCC[Si](C)(C)C)c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ DGAT1 O75907 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ KAT2B Q92831 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL30615511 1.00 MAPT (0.40) MAPTPOLBDGAT1KMT2AIDO1
SCHEMBL21463417 0.80 DGAT1 (0.38) DGAT1NPC1BRD4CREBBP
SCHEMBL68020 0.80 DGAT1 (0.43) DGAT1NPC1BRD4CREBBP
SCHEMBL30615506 0.80 DGAT1 (0.38) DGAT1NPC1BRD4CREBBP
SCHEMBL30615388 0.77 MAPT (0.42) MAPTPOLBKMT2ANPC1RAB9A
SCHEMBL30368428 0.76 MAPT (0.37) MAPTPOLBKMT2AIDO1KAT2B
SCHEMBL30908064 0.76 MAPT (0.37) MAPTPOLBDGAT1KMT2AIDO1
SCHEMBL27193466 0.76 DGAT1 (0.37) DGAT1NPC1BRD4CREBBP
SCHEMBL1592603 0.76 MAPT (0.37) MAPTPOLBDGAT1KMT2AIDO1
SCHEMBL68598 0.76 DGAT1 (0.34) DGAT1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 — — EP disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 — — 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 (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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH MAPT 1623/4885POLB 3289/4885DGAT1 4461/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH MAPT 1623/4885POLB 3289/4885DGAT1 4461/4885

“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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