SCHEMBL16627423

SCHEMBL16627423

COc1ccc(Nc2ncccc2C=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.42
P2RX7 Q99572 4/20 0.41
DHODH Q02127 2/20 0.41

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
SCHEMBL16627412 0.83 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16627413 0.82 RAB9A (0.62) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16627415 0.82 GAA (0.56) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16627420 0.82 ALDH1A1 (0.44) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16638721 0.81 ALDH1A1 (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8835483 0.80 RAB9A (0.60) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL9402386 0.79 MEN1 (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL16627416 0.79 ALDH1A1 (0.55) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16627421 0.78 MEN1 (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL20240554 0.77 KMT2A (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B

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 ADRA2A 4691/4885ADRA2C 4619/4885ADRA1D 4763/4885

“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.