SCHEMBL13586959

SCHEMBL13586959

COC(=O)c1ccc(Cn2nc(-c3ccccc3)cc2C(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.71
▸ KMT2A Q03164 4/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPT P10636 3/20 0.54
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ PHGDH O43175 1/20 0.47

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
SCHEMBL13586958 0.92 MEN1 (0.73) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL13586957 0.83 KMT2A (0.61) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL8890493 0.82 MAPT (0.74) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL2658747 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL2884259 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL8889722 0.77 MAPT (0.70) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL29110775 0.76 HDAC1 (0.62) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL27687138 0.76 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL8590055 0.74 MAPT (0.63) MEN1KMT2ASMN1; SMN2POLBTDP1
SCHEMBL27706437 0.74 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 — — US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 — — 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-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use GLP1R, GCGR, GPR119 MEN1 3055/4885KMT2A 3728/4885SMN1; SMN2 4364/4885

“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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