SCHEMBL16616217

SCHEMBL16616217

COc1cc(C(=O)C=Cc2cccnc2Nc2ccccc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 5/20 0.57
ABCB1 P08183 4/20 0.56
ABCG2 Q9UNQ0 1/20 0.51
TEK Q02763 1/20 0.49
KRAS P01116 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A1 P04798 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP1B1 Q16678 4/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
BCHE P06276 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 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
SCHEMBL16616215 1.00 TNFRSF1A (0.57) TNFRSF1AABCB1ABCG2TEKKRAS
SCHEMBL16616603 0.94 ABCB1 (0.56) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616602 0.94 ABCB1 (0.56) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616875 0.92 ABCB1 (0.52) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616870 0.92 ABCB1 (0.52) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616421 0.92 POLB (0.56) TNFRSF1AABCB1ABCG2KRASMEN1
SCHEMBL16616423 0.92 POLB (0.56) TNFRSF1AABCB1ABCG2KRASMEN1
SCHEMBL16616909 0.91 KRAS (0.52) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616913 0.91 KRAS (0.52) TNFRSF1AABCB1ABCG2KRASCYP1A1
SCHEMBL16616607 0.91 ABCB1 (0.51) TNFRSF1AABCB1ABCG2KRASCYP1A1

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 2 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

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 TNFRSF1A 1747/4885ABCB1 537/4885ABCG2 289/4885

“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.