SCHEMBL16616738

SCHEMBL16616738

COc1ccc(Nc2ncccc2/C=C/C(=O)c2ccc(N)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ABCG2 Q9UNQ0 9/20 0.51
ABCB1 P08183 5/20 0.51
PIK3CA P42336 1/20 0.49
PTPN1 P18031 1/20 0.48
MAPT P10636 2/20 0.47
KRAS P01116 1/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2D6 P10635 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
SCHEMBL16616739 1.00 CA1 (0.56) CA1CA2CTSLCTSBABCG2
SCHEMBL16616972 0.93 ABCG2 (0.57) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616971 0.93 ABCG2 (0.57) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616290 0.92 ABCG2 (0.49) CA1CA2ABCG2ABCB1PIK3CA
SCHEMBL16616284 0.92 ABCG2 (0.49) CA1CA2ABCG2ABCB1PIK3CA
SCHEMBL16616490 0.92 MAOB (0.55) ABCG2ABCB1MAPTCYP3A4MEN1
SCHEMBL16616491 0.92 MAOB (0.55) ABCG2ABCB1MAPTCYP3A4MEN1
SCHEMBL16616547 0.91 MAPT (0.56) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616550 0.91 MAPT (0.56) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616238 0.90 CA1 (0.58) CA1CA2CTSLCTSBABCG2

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-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

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 CA1 4706/4885CA2 4303/4885CTSL 2829/4885

“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.