SCHEMBL31472893

SCHEMBL31472893

NCc1ccc2cnccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
MELK Q14680 1/20 0.51
ROCK1 Q13464 5/20 0.49
LOXL2 Q9Y4K0 2/20 0.46
TBXAS1 P24557 1/20 0.46
CYP2A6 P11509 3/20 0.44
ASIC3 Q9UHC3 1/20 0.43
ROCK2 O75116 2/20 0.43
MYLK4 Q86YV6 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
LCK P06239 1/20 0.42
PRKCZ Q05513 1/20 0.42
AKT1 P31749 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL5801109 1.00 CYP19A1 (0.54) CYP19A1MELKROCK1LOXL2TBXAS1
Hydrochloric Acid SCHEMBL29243533 0.98 CYP19A1 (0.53) CYP19A1MELKROCK1LOXL2TBXAS1
SCHEMBL5779124 0.92 MELK (0.55) CYP19A1MELKROCK1LOXL2TBXAS1
SCHEMBL30452839 0.85 CYP19A1 (0.51) CYP19A1MELKROCK1LOXL2TBXAS1
SCHEMBL23291124 0.85 CYP19A1 (0.51) CYP19A1MELKROCK1LOXL2TBXAS1
SCHEMBL3127988 0.81 CYP19A1 (0.51) CYP19A1MELKROCK1TBXAS1ROCK2
SCHEMBL3144694 0.80 CYP19A1 (0.54) CYP19A1MELKROCK1TBXAS1ROCK2
SCHEMBL9592639 0.80 CYP19A1 (0.54) CYP19A1MELKROCK1TBXAS1ROCK2
SCHEMBL22911613 0.80 CYP19A1 (0.54) CYP19A1MELKROCK1TBXAS1ROCK2
SCHEMBL3825275 0.80 CYP19A1 (0.54) CYP19A1MELKROCK1TBXAS1ROCK2

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-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 US disclosed
WO-2025064718-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-03-27 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 (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-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS CA9, CA13, CA4 CYP19A1 2140/4885MELK 3651/4885ROCK1 1211/4885

“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.