SCHEMBL21711151

SCHEMBL21711151

CSc1cc(C)nc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 3/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 1/20 0.34
HSP90AB1 P08238 1/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
THRB P10828 1/20 0.32
NOS3 P29474 1/20 0.31

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
SCHEMBL750585 0.87 MAPT (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL5766295 0.78 POLB (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL30400857 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL10827851 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL11641704 0.76 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL15689263 0.76 HSP90AB1 (0.40) CYP1A2CYP2C9CYP2C19RAB9AMAPT
SCHEMBL118222 0.76 MAPT (0.39) CYP1A2CYP2C9CYP2C19MAPTPOLB
SCHEMBL6829600 0.76 HSP90AB1 (0.49) CYP1A2CYP2C9CYP2C19NPC1MAPT
SCHEMBL115419 0.76 MAPT (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL13485407 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150394-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2023-08-10 WO disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP1A2 4439/4885CYP2C9 4183/4885CYP2C19 4372/4885

“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.