SCHEMBL29581979

SCHEMBL29581979

COc1ccc(CNc2ncccc2N)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.56
CYP3A4 P08684 17/20 0.56
CYP2D6 P10635 16/20 0.56
CYP2C19 P33261 16/20 0.56
CLK4 Q9HAZ1 10/20 0.56
CYP2C9 P11712 8/20 0.56
TSHR P16473 14/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 8/20 0.53
MAPT P10636 2/20 0.53
HIF1A Q16665 2/20 0.53
HSD17B10 Q99714 9/20 0.53
USP2 O75604 6/20 0.53
APLNR P35414 1/20 0.52
ALOX15 P16050 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1197180 0.86 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL30080224 0.85 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL24493287 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL29650033 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL31340133 0.84 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL319266 0.82 APLNR (0.63) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL1197943 0.81 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL17105218 0.80 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL30615467 0.80 NPC1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4040609 0.80 NPC1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 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 (1 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-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CYP1A2 3484/4885CYP3A4 4562/4885CYP2D6 4316/4885

“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.