SCHEMBL16616459

SCHEMBL16616459

COc1ccc(Nc2ncccc2C(C)=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.80
KMT2A Q03164 10/20 0.80
MAPT P10636 8/20 0.80
GAA P10253 3/20 0.80
RAB9A P51151 7/20 0.80
NPC1 O15118 5/20 0.80
ALDH1A1 P00352 3/20 0.80
NPSR1 Q6W5P4 2/20 0.80
HTT P42858 2/20 0.80
MAPK1 P28482 2/20 0.74
PKM P14618 2/20 0.59
TOP1 P11387 1/20 0.57
DHODH Q02127 4/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
AHR P35869 1/20 0.55
KDR P35968 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12478150 0.89 RAB9A (1.00) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7278408 0.89 RAB9A (0.80) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16627430 0.85 MEN1 (0.81) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16627429 0.84 MAPT (0.58) MEN1KMT2AMAPTGAARAB9A
SCHEMBL846930 0.83 DHODH (0.76) MEN1KMT2AMAPTGAARAB9A
SCHEMBL10377167 0.83 RAB9A (0.70) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16616388 0.82 RAB9A (0.76) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16616643 0.82 DHODH (0.76) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16616664 0.82 LMNA (0.58) MEN1KMT2AMAPTGAARAB9A
SCHEMBL16638716 0.82 MEN1 (0.58) MEN1KMT2AMAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 MEN1 2511/4885KMT2A 2973/4885MAPT 2681/4885

“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.