SCHEMBL2189583

SCHEMBL2189583

COc1ccc2[c]cnn2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDR P35968 6/20 0.33
FLT1 P17948 3/20 0.33
FLT4 P35916 3/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
NTRK1 P04629 1/20 0.33
INSR P06213 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL22834881 0.69 ACVR2A (0.38) KDRFLT1FLT4PLK4AURKA
SCHEMBL28863316 0.66 KDR (0.55) KDRFLT1FLT4PLK4AURKA
SCHEMBL18338474 0.65 DRD2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL8013167 0.64 TDP1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL21863439 0.63 BMP4 (0.39) CA1CA2CA7CA9CA12
SCHEMBL24566334 0.62 KDR (0.51) CA1CA2CA7CA9CA12
SCHEMBL316018 0.62 KMT2A (0.46) CYP1A2CYP2C9MAPTALDH1A1HTT
1,4-Dimethoxybenzene SCHEMBL30704776 0.61 CA1 (0.92) CA1CA2CA7CA9CA12
SCHEMBL21849296 0.61 BMP4 (0.38) CA1CA2CA7CA9CA12
SCHEMBL2760925 0.60 CYP1A2 (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
EP-2346335-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-11-14 EP disclosed
US-8853125-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2014-10-07 US disclosed
US-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-07-14 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-20110173726-A1 Pyrazole Compounds for Controlling Invertebrate Pests PRXL2A, GRIN2C, GRIN2A CA1 1053/4885CA2 867/4885CA7 4592/4885

“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.