SCHEMBL25762020

SCHEMBL25762020

CC(C)(C)c1ccc(C#N)c(-n2cncn2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.43
MAPT P10636 1/20 0.36
UGT1A4 P22310 1/20 0.35
PDE4D Q08499 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
S1PR3 Q99500 1/20 0.35
AR P10275 1/20 0.34
ALOX5AP P20292 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4A P27815 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
SCHEMBL25762019 0.89 CYP19A1 (0.43) CYP19A1MAPTUGT1A4PDE4DFNTA
SCHEMBL2484409 0.86 ALDH1A1 (0.46) CYP19A1MAPTS1PR3ARALDH1A1
SCHEMBL25077137 0.81 P2RX3 (0.42) CYP19A1S1PR3ALOX5APKDM4ECYP1A2
SCHEMBL25077473 0.78 CYP19A1 (0.36) CYP19A1S1PR3ALDH1A1KDM4ECYP1A2
SCHEMBL2076101 0.78 S1PR3 (0.41) CYP19A1S1PR3ALDH1A1KDM4ECYP1A2
SCHEMBL25077413 0.74 CYP19A1 (0.42) CYP19A1S1PR3
SCHEMBL25077412 0.74 CYP19A1 (0.47) CYP19A1S1PR3
SCHEMBL1823760 0.73 CYP19A1 (0.42) CYP19A1MAPTALDH1A1KDM4ECYP2C19
SCHEMBL15828736 0.72 KMT2A (0.47) MAPTALDH1A1KDM4E
SCHEMBL25077354 0.72 CYP1A2 (0.64) MAPTS1PR3ALDH1A1KDM4EGAA

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-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-07-06 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-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 CYP19A1 2757/4885MAPT 3933/4885UGT1A4 2790/4885

“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.