SCHEMBL31478754

SCHEMBL31478754

N#Cc1ccc2ccncc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.57
CYP11B2 P19099 3/20 0.56
CYP11B1 P15538 2/20 0.56
CYP17A1 P05093 1/20 0.56
CHUK O15111 1/20 0.47
CYP19A1 P11511 5/20 0.46
PRKCZ Q05513 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
HASPIN Q8TF76 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.42
CDC7 O00311 1/20 0.42
HTT P42858 1/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
IKBKB O14920 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CYP2A6 P11509 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL3350817 1.00 MELK (0.57) MELKCYP11B2CYP11B1CYP17A1CHUK
SCHEMBL28325580 0.98 MELK (0.56) MELKCYP11B2CYP11B1CYP17A1CHUK
SCHEMBL1515760 0.92 CYP11B2 (0.60) MELKCYP11B2CYP11B1CYP17A1CHUK
SCHEMBL25625881 0.82 CYP11B2 (0.50) MELKCYP11B2CYP11B1CYP17A1CHUK
SCHEMBL2006717 0.80 MELK (0.57) MELKCYP11B2CYP11B1CYP17A1CYP19A1
Isoquinoline SCHEMBL28125940 0.78 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1NCOA3
Isoquinoline SCHEMBL28860064 0.78 CYP11B2 (0.47) CYP11B2CYP11B1CYP17A1CYP19A1NCOA3
SCHEMBL29489123 0.78 CYP2A6 (0.52) CYP11B2CYP11B1CYP17A1CYP19A1IMPDH2
SCHEMBL1341822 0.78 CYP2A6 (0.52) CYP11B2CYP11B1CYP17A1CYP19A1IMPDH2
SCHEMBL28435230 0.77 MELK (0.63) MELKCYP11B2CYP11B1CYP17A1CYP19A1

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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US claimed
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 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 (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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI MELK 936/4885CYP11B2 2223/4885CYP11B1 1746/4885

“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.