SCHEMBL23119712

SCHEMBL23119712

Cn1c(=O)n(-c2ccc(OCCF)nc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ XBP1 P17861 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ ADRA1D P25100 1/20 0.36

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
SCHEMBL21474179 0.89 GAA (0.39) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24405723 0.86 GAA (0.39) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL21474041 0.81 MCHR1 (0.38) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24405756 0.79 GAA (0.39) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL29026387 0.77 PGR (0.38) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24405558 0.76 PGR (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24405700 0.75 NPEPPS (0.42) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL24405596 0.75 OXTR (0.35) PGRPIK3CA
SCHEMBL24405367 0.74 CYP3A4 (0.37) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL10143733 0.74 MEN1 (0.54) MEN1KMT2A

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 2 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
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — 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 (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 GAA 3441/4885NPC1 2391/4885TSHR 229/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH GAA 3441/4885NPC1 2391/4885TSHR 229/4885

“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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