SCHEMBL13745167

SCHEMBL13745167

Cc1cnc2ccc(C=O)cn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.35
KCNJ1 P48048 1/20 0.35
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL13745783 0.82 TGFBR1 (0.40) TGFBR1CYP1A2CYP2C9ALDH1A1ADORA2A
SCHEMBL4255030 0.79 DYRK1A (0.38) TGFBR1CYP1A2CYP2C9ALDH1A1KCNJ1
SCHEMBL4249759 0.79 DYRK1A (0.38) TGFBR1CYP1A2CYP2C9ALDH1A1KCNJ1
SCHEMBL4253831 0.79 KCNJ1 (0.35) TGFBR1CYP1A2CYP2C9ALDH1A1KCNJ1
SCHEMBL10238918 0.75 CYP1A2 (0.56) TGFBR1CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL18041741 0.75 TGFBR1 (0.55) TGFBR1
SCHEMBL22595101 0.74 ALDH1A1 (0.38) CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL4250153 0.74 TGFBR1 (0.63) TGFBR1CYP1A2ALDH1A1KDM4E
SCHEMBL13745282 0.74 PIK3CG (0.57)
SCHEMBL17754951 0.73 TGFBR1 (0.41) TGFBR1CYP1A2CYP2C9ALDH1A1KDM4E

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
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A TGFBR1 444/4885CYP1A2 2574/4885CYP2C9 1488/4885

“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.