SCHEMBL16616238

SCHEMBL16616238

COc1cc(Nc2ncccc2/C=C/C(=O)c2ccc(N)cc2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
KRAS P01116 4/20 0.58
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PTPN1 P18031 1/20 0.48
CYP1A1 P04798 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP1B1 Q16678 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C8 P10632 1/20 0.47
CYP3A4 P08684 1/20 0.47
ABCB1 P08183 1/20 0.47
ALOX5 P09917 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TEK Q02763 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL16616244 1.00 CA1 (0.58) CA1CA2KRASCTSLCTSB
SCHEMBL16616379 0.92 KRAS (0.57) CA1CA2KRASPTPN1CYP1A1
SCHEMBL16616372 0.92 KRAS (0.57) CA1CA2KRASPTPN1CYP1A1
SCHEMBL16616603 0.92 ABCB1 (0.56) KRASCYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL16616602 0.92 ABCB1 (0.56) KRASCYP1A1CYP1A2CYP1B1CYP2D6
SCHEMBL16616447 0.91 TUBB1 (0.51) CA1CA2KRASCYP1A1CYP1A2
SCHEMBL16616448 0.91 TUBB1 (0.51) CA1CA2KRASCYP1A1CYP1A2
SCHEMBL16616641 0.91 LMNA (0.56) CA1CA2KRASCYP1A1CYP1A2
SCHEMBL16616637 0.91 LMNA (0.56) CA1CA2KRASCYP1A1CYP1A2
SCHEMBL16616532 0.90 ABCG2 (0.54) CYP1A1CYP1A2CYP1B1ABCB1ABCG2

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 4 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
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 4303/4885KRAS 1079/4885

“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.