SCHEMBL30816550

SCHEMBL30816550

COc1ncncc1-c1nccc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ CYP1A2 P05177 5/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL30816580 0.83 CYP17A1 (0.39) AURKATTKAURKBINCENPCYP17A1
SCHEMBL31262316 0.78 RAB9A (0.46) CYP1A2CYP3A4CYP2D6ALDH1A1MAPT
SCHEMBL31530990 0.77 CYP1A2 (0.46) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30462075 0.76 CYP17A1 (0.40) CYP17A1ALKCYP1A2CYP3A4CYP2D6
SCHEMBL30462066 0.73 HSP90AA1 (0.40) HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5735866 0.70 — —
SCHEMBL31008552 0.70 — —
SCHEMBL21857550 0.70 CYP1A2 (0.63) HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31505978 0.70 CYP1A2 (0.63) HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30538048 0.70 CYP17A1 (0.38) CYP17A1CYP1A2CYP3A4CYP2D6CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. 2024-03-21 — — 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-20240092779-A1 USP1 INHIBITORS AND USES THEREOF USP1, USP28, USP2 AURKA 2117/4885TTK 1575/4885AURKB 1753/4885

“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.

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