SCHEMBL14415968

SCHEMBL14415968

Cn1cnc(C(C)(C)C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LRRK2 Q5S007 2/20 0.32
CYP19A1 P11511 1/20 0.31
UGT1A4 P22310 1/20 0.31
PDE4D Q08499 1/20 0.31
CHRNA7 P36544 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
SCHEMBL443058 0.76 CYP2C9 (0.39) L3MBTL1CYP2C9TSHRCYP2C19MTOR
SCHEMBL14037264 0.72 CYP2C19 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL18871348 0.72 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2611129 0.70 TSHR (0.39) L3MBTL1CYP2C9TSHRCYP2C19MTOR
SCHEMBL6553669 0.70 CYP11B1 (0.39) CYP19A1
SCHEMBL25015250 0.69 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24311782 0.69 CYP2C9 (0.34) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13944416 0.69 CYP2C9 (0.38) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL19867789 0.69
SCHEMBL13563919 0.68 TSHR (0.33) L3MBTL1CYP2C9TSHRCYP2C19MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 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 (2 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS TP53 232/4885L3MBTL1 2597/4885CYP2C9 1507/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA TP53 2785/4885L3MBTL1 4147/4885CYP2C9 1072/4885

“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.