SCHEMBL21463467

SCHEMBL21463467

COc1cc(C)c(-c2cccc(N)c2N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
CD44 P16070 1/20 0.39
ORAI1 Q96D31 1/20 0.38
EGFR P00533 1/20 0.38
ABL1 P00519 1/20 0.37
CYP2A6 P11509 1/20 0.37
POLQ O75417 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.36
CRHR1 P34998 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 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
SCHEMBL30615694 1.00 NNMT (0.45) NNMTCD44ORAI1EGFRABL1
SCHEMBL21463290 0.81 CD44 (0.41) CD44EGFRKDM4EMEN1ALDH1A1
SCHEMBL30615386 0.81 CD44 (0.41) CD44EGFRKDM4EMEN1ALDH1A1
SCHEMBL21463872 0.81 UHRF1 (0.50) CD44ABL1CYP2A6POLQKDM4E
SCHEMBL30615400 0.81 UHRF1 (0.50) CD44ABL1CYP2A6POLQKDM4E
SCHEMBL28499043 0.78 CD44 (0.41) CD44CYP2A6KDM4EMEN1ALDH1A1
SCHEMBL28492390 0.75 MAPT (0.48) CD44MAPTCASP1PIK3CAFYN
SCHEMBL3668216 0.73 UHRF1 (0.56) NNMTEGFRCYP2A6ALDH1A1MAPT
SCHEMBL29492737 0.73 UHRF1 (0.56) NNMTEGFRCYP2A6ALDH1A1MAPT
SCHEMBL16475095 0.72 NNMT (0.47) NNMTORAI1ABL1CYP2A6HSD17B1

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 7 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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN 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
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN 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 NNMT 4093/4885CD44 4809/4885ORAI1 3357/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NNMT 4093/4885CD44 4809/4885ORAI1 3357/4885

“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.