SCHEMBL14527403

SCHEMBL14527403

O=C(NNC(=O)c1ccc2cc[nH]c2c1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.56
▸ MKNK1 Q9BUB5 5/20 0.53
▸ MKNK2 Q9HBH9 5/20 0.53
▸ ATR Q13535 1/20 0.51
▸ DEGS1 O15121 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL14527434 0.86 GHSR (0.53) GHSRHDAC6KDM4EALDH1A1HPGD
SCHEMBL14527422 0.84 CHEK2 (0.49) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL14526878 0.79 KDM4E (0.63) GHSRHDAC6KDM4EALDH1A1HPGD
SCHEMBL14082569 0.79 ATR (0.65) MKNK1MKNK2ATRCYP11B1CYP11B2
SCHEMBL7497614 0.79 FGFR1 (0.62) GHSRATRCYP19A1CYP11B1CYP11B2
SCHEMBL14526879 0.78 NPC1 (0.71) MKNK1MKNK2DEGS1ALDH1A1LMNA
SCHEMBL8770566 0.76 MAPT (0.70) ATRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14527318 0.75 MKNK1 (0.66) MKNK1MKNK2DEGS1CYP11B1CYP11B2
SCHEMBL14527309 0.75 MKNK1 (0.66) MKNK1MKNK2DEGS1CYP11B1CYP11B2
SCHEMBL14527311 0.75 MKNK1 (0.66) MKNK1MKNK2DEGS1CYP11B1CYP11B2

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-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — 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-20070093529-A1 Diacylhydrazine derivatives BRAF, RAF1, NRAS GHSR 3536/4885MKNK1 224/4885MKNK2 240/4885

“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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