SCHEMBL21572271

SCHEMBL21572271

NNc1ccc(Oc2ncccc2F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.44
▸ P2RY1 P47900 4/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ DRD1 P21728 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ BACE1 P56817 4/20 0.39
▸ BACE2 Q9Y5Z0 3/20 0.39
▸ PPARG P37231 1/20 0.39
▸ TRPA1 O75762 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
SCHEMBL21572243 0.87 GCK (0.42) GCKP2RY1CARM1PRMT6DRD1
SCHEMBL18331715 0.75 PARP10 (0.47) GCKMEN1KMT2A
SCHEMBL16792626 0.74 MAOB (0.44) KDM4EMEN1CYP2C19KMT2A
SCHEMBL27189021 0.74 MEN1 (0.56) DRD1KDM4EMEN1KMT2ABACE1
SCHEMBL30689415 0.73 SLC22A12 (0.45) GCKDRD1KDM4EMEN1CYP1A2
SCHEMBL18332494 0.73 DRD1 (0.43) GCKDRD1BACE1PPARG
SCHEMBL31527966 0.73 FEN1 (0.42) GCKP2RY1CARM1PRMT6DRD1
SCHEMBL18331708 0.73 TRPA1 (0.39) PPARGTRPA1
SCHEMBL10807074 0.72 TDP1 (0.50) P2RY1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL20084163 0.72 CA1 (0.40) GCKMEN1KMT2A

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 2426/4885P2RY1 491/4885CARM1 372/4885

“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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