SCHEMBL3734374

SCHEMBL3734374

CC(=O)OCc1nc2cc(C#N)ccc2n1CCCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.40
PDE2A O00408 1/20 0.40
RAB9A P51151 1/20 0.38
ADORA2A P29274 2/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM2 Q14416 1/20 0.36
IDH1 O75874 2/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL6247183 0.88 ITK (0.39) ITKRAB9AADORA2AHTTHSD17B10
SCHEMBL7886984 0.85 RAB9A (0.43) RAB9A
SCHEMBL3729573 0.83 RAB9A (0.42) ITKPDE2ARAB9AGRM2
SCHEMBL13041706 0.83 RAB9A (0.39) RAB9A
SCHEMBL6218617 0.83 MAPT (0.39) ITKRAB9AADORA2AHTTHSD17B10
SCHEMBL6241622 0.82 CNR2 (0.47)
SCHEMBL7893298 0.81 PDE2A (0.42) PDE2AADORA2AGRM2IDH1
SCHEMBL6489644 0.78 SMN1; SMN2 (0.43) ITKRAB9AADORA2A
SCHEMBL6489831 0.77 ADORA2A (0.43) ITKRAB9AADORA2A
SCHEMBL31069442 0.71 NTRK1 (0.52) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 ITK 4032/4885PDE2A 4217/4885RAB9A 58/4885

“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.