SCHEMBL21572243

SCHEMBL21572243

NNc1ccc(Oc2ncccc2Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ P2RY1 P47900 3/20 0.41
▸ DRD1 P21728 6/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EGFR P00533 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
SCHEMBL21572271 0.87 GCK (0.44) GCKBACE1P2RY1DRD1BACE2
SCHEMBL18332494 0.87 DRD1 (0.43) GCKBACE1DRD1PDE10A
SCHEMBL18331711 0.77 AR (0.44) AXL
SCHEMBL9767048 0.75 P2RY1 (0.54) P2RY1DRD1KDM4EMEN1CYP1A2
SCHEMBL29125551 0.75 PDE10A (0.53) DRD1PDE10AKDM4EMEN1CYP1A2
SCHEMBL18332109 0.73 AR (0.43) MEN1KMT2ANPSR1EGFR
SCHEMBL15044336 0.71 MEN1 (0.56) DRD1PDE10AMEN1KMT2A
SCHEMBL16792626 0.71 MAOB (0.44) KDM4EMEN1CYP2C19KMT2A
SCHEMBL3706881 0.70 DRD1 (0.43) DRD1
SCHEMBL7911670 0.69 MEN1 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 GCK 2426/4885BACE1 4599/4885P2RY1 491/4885

“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.

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