SCHEMBL29580587

SCHEMBL29580587

Cn1ncc2cc(Nc3ccccc3N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.57
▸ CYP1A2 P05177 2/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ TGFBR1 P36897 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAPK14 Q16539 4/20 0.46
▸ TRPM5 Q9NZQ8 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ APP P05067 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL16416922 0.83 CDC7 (0.51) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL4327511 0.79 NPC1 (0.54) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL30615425 0.78 MAPK1 (0.50) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL3274399 0.76 CDC7 (0.57) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL30728059 0.75 CDC7 (0.64) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL30279147 0.74 CDC7 (0.55) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL8311439 0.74 CDC7 (0.55) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL8788646 0.74 CDC7 (0.59) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL15152227 0.74 CDC7 (0.56) CDC7CYP1A2GRM4TGFBR1MAPT
SCHEMBL31735411 0.73 BPTF (0.64) CDC7TRPM5

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 CDC7 824/4885CYP1A2 3484/4885GRM4 716/4885

“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.

Send feedback