SCHEMBL16616418

SCHEMBL16616418

COc1ccc(Nc2ncccc2C(=O)C=Cc2cccnc2Nc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 2/20 0.54
DHODH Q02127 2/20 0.54
KDR P35968 1/20 0.52
PKM P14618 1/20 0.48
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47

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
SCHEMBL16616415 1.00 RAB9A (0.60) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616556 1.00 RAB9A (0.60) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616552 1.00 RAB9A (0.60) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616481 0.92 MEN1 (0.65) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616662 0.92 MEN1 (0.65) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616659 0.92 MEN1 (0.65) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616479 0.92 MEN1 (0.65) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616546 0.91 MAOB (0.56) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616322 0.91 RAB9A (0.61) RAB9AALDH1A1NPSR1HTTNPC1
SCHEMBL16616326 0.91 RAB9A (0.61) RAB9AALDH1A1NPSR1HTTNPC1

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 RAB9A 1415/4885ALDH1A1 1497/4885NPSR1 4735/4885

“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.