SCHEMBL9024092

SCHEMBL9024092

CSc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48
GAK O14976 2/20 0.46
PARP1 P09874 1/20 0.45
GRM4 Q14833 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
KDR P35968 3/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
AURKB Q96GD4 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
DYRK3 O43781 2/20 0.41
DYRK1A Q13627 2/20 0.41
STK17A Q9UEE5 2/20 0.41
CLK2 P49760 2/20 0.41
CDK5 Q00535 2/20 0.41
PLK4 O00444 1/20 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
SCHEMBL22854 0.80 ADRB2 (0.52) ADRB2NCF1GAKPARP1GRM4
SCHEMBL30174440 0.80 ADRB2 (0.52) ADRB2NCF1GAKPARP1GRM4
SCHEMBL27619316 0.79 GRM4 (0.44) ADRB2NCF1GAKPARP1GRM4
SCHEMBL4419333 0.78 RAC1 (0.48) ADRB2NCF1GAKPARP1GRM4
SCHEMBL4591807 0.78 RAC1 (0.52) ADRB2NCF1GAKPARP1GRM4
SCHEMBL8565612 0.77 MEN1 (0.48) ADRB2NCF1GAKPARP1GRM4
SCHEMBL8565482 0.77 ADRB2 (0.42) ADRB2NCF1GAKPARP1GRM4
SCHEMBL20683281 0.77 RAC1 (0.54) ADRB2NCF1GAKPARP1GRM4
SCHEMBL31121093 0.76 ADRB2 (0.52) ADRB2NCF1GAKPARP1GRM4
SCHEMBL18582354 0.76 ADRB2 (0.52) ADRB2NCF1GAKPARP1GRM4

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
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 US disclosed
EP-0390099-B1 Polar cephalosporin derivatives and process for their preparation HOECHST AG (DE) 1996-06-26 EP disclosed
EP-0390099-A2 Polar cephalosporin derivatives and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-03 EP 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 (2 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-20190031647-A1 RAC INHIBITORS ARHGDIB, ARHGDIA, RAC1 ADRB2 3339/4885NCF1 238/4885GAK 242/4885
US-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 ADRB2 3339/4885NCF1 238/4885GAK 242/4885

“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.