SCHEMBL23119664

SCHEMBL23119664

Cn1c(=O)n(-c2cnc(OCCO)c(F)c2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.39
▸ KCNJ5 P48544 3/20 0.37
▸ KCNJ3 P48549 3/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ PGR P06401 1/20 0.33

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 0.73 GAA (0.39) BRPF1NPC1TSHRALDH1A1GSK3B
SCHEMBL23119712 0.71 GAA (0.40) NPC1TSHRALDH1A1GSK3BRAB9A
SCHEMBL24405507 0.70 PDE10A (0.37) NPC1ALDH1A1GSK3BRAB9ASMN1; SMN2
SCHEMBL24405682 0.69 PGR (0.36) TSHRGSK3BSMN1; SMN2MEN1KMT2A
SCHEMBL24405634 0.69 ALDH1A1 (0.40) NPC1TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL21474157 0.68 POLB (0.41) TSHRALDH1A1GSK3BSMN1; SMN2MEN1
SCHEMBL21474041 0.68 MCHR1 (0.38) KCNJ5KCNJ3NPC1TSHRALDH1A1
SCHEMBL24405723 0.67 GAA (0.39) NPC1TSHRALDH1A1GSK3BRAB9A
SCHEMBL24405558 0.67 PGR (0.43) NPC1ALDH1A1GSK3BRAB9AMEN1
SCHEMBL24405691 0.66 CHRNB2 (0.47) ALDH1A1GSK3BMTORPGR

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 BRPF1 1565/4885KCNJ5 3971/4885KCNJ3 3693/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH BRPF1 1565/4885KCNJ5 3971/4885KCNJ3 3693/4885

“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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