SCHEMBL979677

SCHEMBL979677

O=C(c1c[nH]c2sccc12)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
PIM3 Q86V86 1/20 0.43
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PARP15 Q460N3 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HTT P42858 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
CES1 P23141 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
IDO1 P14902 2/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL2913341 0.71 CSNK2A1 (0.47) PIM3PARP15TNKS2TNKSPARP1
SCHEMBL8159994 0.70 HSD17B10 (0.49) MAPK1PIM3HTR2AHTR2CHTR2B
SCHEMBL6332699 0.70 ALDH1A1 (0.42) MAPK1PIM3HTR2AHTR2CHTR2B
SCHEMBL6633037 0.70 ALDH1A1 (0.42) MAPK1PIM3HTR2AHTR2CHTR2B
SCHEMBL2040397 0.69 MAPK1 (1.00) MAPK1PIM3ALDH1A1MEN1KMT2A
SCHEMBL13229579 0.67 ALDH1A1 (0.41) MAPK1HTR2AHTR2CHTR2BPARP15
SCHEMBL2643076 0.66 MAPK1 (0.64) MAPK1PIM3HTR2AIDO1HDAC6
SCHEMBL3015057 0.66 PIM3 (0.52) MAPK1PIM3PARP15PARP1HTT
SCHEMBL2037236 0.66 PIM3 (0.59) MAPK1PIM3RAB9A
SCHEMBL14631235 0.66 MAPK1 (0.64) MAPK1PIM3ALDH1A1KMT2AHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2011-01-27 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-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES DDT, TYR, CAT MAPK1 4441/4885PIM3 2012/4885HTR2A 892/4885

“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.