SCHEMBL17125384

SCHEMBL17125384

COC(=O)c1cccc(-n2ccc(-c3ccc(C)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ JMJD6 Q6NYC1 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALPL P05186 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ ESRRA P11474 1/20 0.43
▸ TCF4 P15884 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2709906 0.90 TP53 (0.55) TP53ALDH1A1POLBKMT2AJMJD6
SCHEMBL2708654 0.89 TP53 (0.52) TP53ALDH1A1POLBJMJD6MAPT
SCHEMBL2710694 0.89 TP53 (0.52) TP53ALDH1A1POLBKMT2AJMJD6
SCHEMBL17125377 0.87 TP53 (0.50) TP53ALDH1A1JMJD6MAPTCYP1A2
SCHEMBL181938 0.86 MEN1 (0.49) ALDH1A1POLBKMT2AMAPTRAB9A
SCHEMBL17125349 0.85 TP53 (0.53) TP53ALDH1A1JMJD6MAPTCYP1A2
SCHEMBL181805 0.85 MRGPRX4 (0.50) TP53MAPTKDM4E
SCHEMBL17125383 0.84 TP53 (0.47) TP53ALDH1A1KMT2AJMJD6MAPT
SCHEMBL2708454 0.83 MRGPRX4 (0.53) TP53ALDH1A1POLBJMJD6MAPT
SCHEMBL182185 0.81 GRM5 (0.51) TP53JMJD6MAPTGRM5LMNA

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 TP53 17/4885ALDH1A1 2509/4885POLB 166/4885

“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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