SCHEMBL21721152

SCHEMBL21721152

CC(C)(C)n1ncc(N)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 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
SCHEMBL21719815 0.82 TSHR (0.31)
SCHEMBL21720714 0.76
SCHEMBL21718834 0.76 CYP1A2 (0.35) SMN1; SMN2ALDH1A1HPGD
SCHEMBL15650816 0.76 HPGD (0.34) SMN1; SMN2HPGD
SCHEMBL21718849 0.74 MAPK1 (0.35) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL21721126 0.74 AKT1 (0.31) SMN1; SMN2HPGD
SCHEMBL21721149 0.74 SMN1; SMN2 (0.31) SMN1; SMN2LMNAHTTHPGD
SCHEMBL21720774 0.74 PLA2G1B (0.33) SMN1; SMN2ALDH1A1HTT
SCHEMBL21721074 0.72 LRRK2 (0.30)
SCHEMBL21719911 0.71 CYP17A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472968-A1 INHIBITORS OF RAF KINASES PIERRE FABRE MEDICAMENT (FR) 2024-12-11 EP disclosed
CN-118974036-A Inhibitors of RAF kinase 皮埃尔法布雷医药公司 2024-11-15 CN disclosed
US-20240182467-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2024-06-06 US disclosed
US-11814384-B2 Inhibtors of Raf kinases KINNATE BIOPHARMA INC. (US) 2023-11-14 US disclosed
US-20230303566-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2023-09-28 US disclosed
WO-2023150681-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2023-08-10 WO disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 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 (5 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-20240182467-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF SMN1; SMN2 3700/4885KDM4E 1831/4885ALDH1A1 2750/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885KDM4E 595/4885ALDH1A1 894/4885
US-20230303566-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF SMN1; SMN2 3700/4885KDM4E 1831/4885ALDH1A1 2750/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885KDM4E 595/4885ALDH1A1 894/4885
US-11814384-B2 Inhibtors of Raf kinases RAF1, BRAF, ARAF SMN1; SMN2 4332/4885KDM4E 3091/4885ALDH1A1 2477/4885

“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.