SCHEMBL13158469

SCHEMBL13158469

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.53
▸ MAPK11 Q15759 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CCR1 P32246 1/20 0.49
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ RIPK1 Q13546 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 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
SCHEMBL13158472 0.91 RAB9A (0.51) TP53ALDH1A1SMN1; SMN2LMNARIPK1
SCHEMBL13158474 0.89 RAB9A (0.49) POLBTP53SMN1; SMN2LMNARIPK1
SCHEMBL13158409 0.87 TP53 (0.52) MEN1KMT2ACCR1TP53ALDH1A1
SCHEMBL3113673 0.86 MAPK11 (0.50) MAPK14MAPK11MEN1KMT2APOLB
SCHEMBL3105762 0.86 PTGS2 (0.46) TP53ALDH1A1HPGDRIPK1ALOX12
SCHEMBL13158458 0.86 PTGS2 (0.52) KMT2ATP53HPGDSMN1; SMN2RIPK1
SCHEMBL13158464 0.85 PTGS2 (0.46) MAPK14MAPK11TP53SMN1; SMN2RIPK1
SCHEMBL13158428 0.85 PTGS2 (0.46) MAPK14MAPK11TP53RIPK1ALOX12
SCHEMBL13158438 0.84 TP53 (0.52) POLBTP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL13158440 0.83 MAPK14 (0.52) MAPK14KMT2ATP53ALDH1A1HPGD

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MAPK14 1769/4885MAPK11 2236/4885MEN1 1111/4885

“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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