SCHEMBL17125355

SCHEMBL17125355

C=C(C)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
LIMK1 P53667 1/20 0.45
MAP2K1 Q02750 1/20 0.45
PRKCQ Q04759 1/20 0.45

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
SCHEMBL182299 0.90 AURKA (0.53) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL181928 0.88 HTT (0.52) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL17125356 0.87 HTT (0.41) RPA1HTTGAAMEN1KMT2A
SCHEMBL182162 0.85 KMO (0.53) STIM1ORAI1RPA1KMOCD74
SCHEMBL182038 0.84 RPA1 (0.45) STIM1ORAI1RPA1KMOCD74
SCHEMBL2708467 0.83 RPA1 (0.50) MAP4K4STIM1ORAI1RPA1KMO
SCHEMBL181876 0.83 KMT2A (0.51) STIM1ORAI1RPA1KMOCD74
SCHEMBL182136 0.83 KEAP1 (0.51) RPA1KMOCD74MIFGAA
SCHEMBL181888 0.82 STIM1 (0.57) STIM1ORAI1RPA1LMNAMEN1
SCHEMBL17125405 0.82 KEAP1 (0.45) AURKADAPK3JAK2MAP4K4ABL1

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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL AURKA 3552/4885DAPK3 1222/4885JAK2 448/4885

“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.