SCHEMBL21301565

SCHEMBL21301565

Cc1ccc2nc(C(F)F)c(C)n2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL16972431 0.83 PDE10A (0.44) PDE10A
SCHEMBL17469574 0.77 KDM4E (0.48) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL28566661 0.72 KDM4E (0.44) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL18597010 0.71 PDE10A (0.46) PDE10AMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28566253 0.70 KDM4E (0.43) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL17515540 0.67 KDM4E (0.43) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL25150831 0.67 AKT1 (0.52) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL21316084 0.67 PDE10A (0.47) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL23748001 0.66 KDM4E (0.46) PDE10AMEN1KMT2AKDM4EAKT1
SCHEMBL17810209 0.66 PDE10A (0.34) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3099690-B1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2019-08-28 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-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders GRIN2B, MAOB, GRIN2A PDE10A 3239/4885MEN1 2019/4885KMT2A 907/4885

“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.