SCHEMBL4090777

SCHEMBL4090777

[CH2]c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
ILK Q13418 2/20 0.49
EPHX2 P34913 1/20 0.47
SCN4A P35499 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.41
NCS1 P62166 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 6/20 0.40
AGPAT2 O15120 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
BACE1 P56817 1/20 0.39
AKR1A1 P14550 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL15708155 0.80 DYRK1A (0.54) DYRK1AILKEPHX2SCN4AKDM4E
SCHEMBL1913811 0.79 SCN4A (0.75) DYRK1AILKEPHX2SCN4ABACE1
SCHEMBL1748145 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AKDM4E
SCHEMBL777758 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AKDM4E
SCHEMBL31547354 0.79 DYRK1A (0.52) DYRK1AILKEPHX2SCN4AKDM4E
SCHEMBL9853857 0.79 POLB (0.56) DYRK1AILKEPHX2SCN4AALOX5
SCHEMBL30261092 0.79 SCN4A (0.75) DYRK1AILKEPHX2SCN4ABACE1
Hydrochloric Acid SCHEMBL9362913 0.77 SCN4A (0.73) DYRK1AILKEPHX2SCN4ABACE1
SCHEMBL17153983 0.77 ALOX5 (0.52) DYRK1AILKEPHX2SCN4AKDM4E
SCHEMBL21652240 0.76 DYRK1A (0.54) DYRK1AILKEPHX2SCN4AKDM4E

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-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-0458549-A1 N-alkyl-spiro-isoquinoline-pyrrolidine tetrones and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-11-27 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 (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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 DYRK1A 804/4885ILK 4302/4885EPHX2 1022/4885

“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.