SCHEMBL30816580

SCHEMBL30816580

COc1ncncc1-c1nccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.39
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ EGFR P00533 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 5/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL30816550 0.83 AURKA (0.38) CYP17A1NPC1EGFRHPGDCYP1A2
SCHEMBL16568952 0.76 NPC1 (0.33) NPC1RAB9ASMN1; SMN2ATMTP53
SCHEMBL2666364 0.74 CYP2A6 (0.38) NPC1SMN1; SMN2ATMCYP1A2CYP3A4
SCHEMBL30816626 0.73 CYP17A1 (0.38) CYP17A1EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL31521747 0.72 CYP17A1 (0.39) CYP17A1SMN1; SMN2EGFRCYP1A2CYP3A4
SCHEMBL30462075 0.71 CYP17A1 (0.40) CYP17A1CYP1A2CYP3A4TDP1HSD17B10
SCHEMBL30538048 0.71 CYP17A1 (0.38) CYP17A1EGFRCYP1A2CYP3A4TDP1
SCHEMBL30816561 0.70 ALDH1A1 (0.44) CYP17A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31521754 0.69 GAA (0.42) CYP17A1NPC1RAB9ASMN1; SMN2ATM
SCHEMBL30462068 0.69 CYP1A2 (0.49) CYP17A1SMN1; SMN2HPGDCYP1A2CYP3A4

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 CYP17A1 1682/4885NPC1 1482/4885RAB9A 2356/4885

“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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