SCHEMBL874076

SCHEMBL874076

Cc1ccc2[nH]nnc(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CHEK1 O14757 1/20 0.43
MAP2K4 P45985 6/20 0.42
MAPK1 P28482 4/20 0.42
MAPKAPK3 Q16644 3/20 0.42
MAPK6 Q16659 3/20 0.42
MAPKAPK2 P49137 2/20 0.42
MAPKAPK5 Q8IW41 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10885158 0.78 LMNA (0.43) ALDH1A1CHEK1MEN1KMT2AKDM4E
SCHEMBL874687 0.78 KDM4E (0.42) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL9511534 0.73 ITK (0.42) ALDH1A1CHEK1MAP2K4MAPK1MAPKAPK3
SCHEMBL10879458 0.73 MAPT (0.52) ALDH1A1MEN1NPC1KMT2APOLB
SCHEMBL103309 0.72 CYP1A2 (0.39) ALDH1A1CHEK1MAP2K4MAPK1MAPKAPK3
SCHEMBL547904 0.72 CYP1A2 (0.46) ALDH1A1MAP2K4MEN1NPC1KMT2A
SCHEMBL29367601 0.72 CYP1A2 (0.39) ALDH1A1CHEK1MAP2K4MAPK1MAPKAPK3
SCHEMBL11455288 0.71 NPC1 (0.51) ALDH1A1CHEK1MAPK1MEN1NPC1
SCHEMBL1537875 0.71 CYP1A2 (0.38) ALDH1A1CHEK1MAP2K4MAPK1MAPKAPK3
Ammonia Solution, Strong SCHEMBL1814826 0.71 CYP1A2 (0.38) ALDH1A1CHEK1MAP2K4MAPK1MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 ALDH1A1 2281/4885CHEK1 3829/4885MAP2K4 831/4885

“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.