SCHEMBL16616733

SCHEMBL16616733

COc1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.50
ABCG2 Q9UNQ0 10/20 0.49
ABCB1 P08183 6/20 0.49
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
DHODH Q02127 1/20 0.47
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.47
STAT1 P42224 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL16616734 1.00 TUBB1 (0.50) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616525 0.92 ALDH1A1 (0.55) TUBB1ABCG2ABCB1MEN1KMT2A
SCHEMBL16616471 0.92 TUBB1 (0.48) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616524 0.92 ALDH1A1 (0.55) TUBB1ABCG2ABCB1MEN1KMT2A
SCHEMBL16616467 0.92 TUBB1 (0.48) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616475 0.91 RAB9A (0.49) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616528 0.91 DHODH (0.49) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616526 0.91 DHODH (0.49) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616473 0.91 RAB9A (0.49) TUBB1ABCG2ABCB1ACHEMAOB
SCHEMBL16616486 0.91 ABCG2 (0.51) TUBB1ABCG2ABCB1ACHEMAOB

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 6 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-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-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
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 TUBB1 538/4885ABCG2 289/4885ABCB1 537/4885

“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.