SCHEMBL16616682

SCHEMBL16616682

COc1cc(Nc2ncccc2C=CC(=O)c2cccnc2Nc2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
BRAF P15056 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
AR P10275 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL16616224 1.00 DHODH (0.49) DHODHBRAFTUBB4ATUBBTUBA3C
SCHEMBL16616679 1.00 DHODH (0.49) DHODHBRAFTUBB4ATUBBTUBA3C
SCHEMBL16616221 1.00 DHODH (0.49) DHODHBRAFTUBB4ATUBBTUBA3C
SCHEMBL16625613 0.92 DHODH (0.44) DHODHBRAFTUBB4ATUBBTUBA3C
SCHEMBL16616823 0.91 DHODH (0.50) DHODHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616589 0.91 ALDH1A1 (0.55) ALDH1A1HTTKRASNPC1RAB9A
SCHEMBL16616822 0.91 DHODH (0.50) DHODHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16616559 0.91 BRAF (0.47) BRAFARALDH1A1HTTKRAS
SCHEMBL16616560 0.91 BRAF (0.47) BRAFARALDH1A1HTTKRAS
SCHEMBL16616590 0.91 ALDH1A1 (0.55) ALDH1A1HTTKRASNPC1RAB9A

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 DHODH 637/4885BRAF 208/4885TUBB4A 258/4885

“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.