SCHEMBL17125372

SCHEMBL17125372

COC(=O)c1ccc(-n2cc(-c3cc4ccccc4o3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.48
▸ KDM4E B2RXH2 9/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MKNK1 Q9BUB5 3/20 0.43
▸ MKNK2 Q9HBH9 3/20 0.43

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
SCHEMBL17130519 0.86 HPGDS (0.48) TNKSKDM4EALDH1A1MAPTNPC1
SCHEMBL3981377 0.81 TNKS (0.69) TNKSKDM4EALDH1A1MAPTNPC1
SCHEMBL17125410 0.80 MAPT (0.69) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL17125373 0.73 MAPKAPK2 (0.51) KDM4EMAPTNPC1RAB9AMEN1
SCHEMBL980266 0.70 TNKS (0.56) TNKSKDM4EALDH1A1NPC1RAB9A
SCHEMBL978655 0.70 HDAC6 (0.68) TNKSKDM4EALDH1A1MAPTNPC1
SCHEMBL17125376 0.70 GRM4 (0.67) —
SCHEMBL7222210 0.69 TNKS (0.53) TNKSKDM4EALDH1A1MAPTNPC1
SCHEMBL19127199 0.69 MEN1 (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3694272 0.69 NPC1 (0.67) TNKSKDM4EALDH1A1MAPTNPC1

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 TNKS 272/4885KDM4E 1971/4885ALDH1A1 2509/4885

“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.

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