SCHEMBL14736601

SCHEMBL14736601

CCc1cccc2nc(C(=O)O)nn12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.42
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19658956 0.86 PARP1 (0.39) PDE10AJAK1PDE4ANUDT1JAK2
SCHEMBL9108312 0.77 MEN1 (0.38) MEN1KMT2AGRIN1GRIN2A
SCHEMBL18341116 0.76 AHR (0.49) MEN1KMT2ASMN1; SMN2JAK1NUDT1
SCHEMBL19659205 0.75 EGLN2 (0.45) PDE10ASMN1; SMN2TP53GRIN1GRIN2A
SCHEMBL18366715 0.72 KDM4E (0.46) PDE10AKMT2ASMN1; SMN2TP53KDM4E
SCHEMBL18366726 0.69 CHEK1 (0.43) JAK1NUDT1JAK2
SCHEMBL7277074 0.69 GAA (0.50) SMN1; SMN2TP53RAB9AGRIN1GRIN2A
SCHEMBL17580692 0.68 MAPK1 (0.43) KMT2ASMN1; SMN2TP53RAB9AGRIN1
SCHEMBL17437974 0.67 POLB (0.41) MEN1KMT2ASMN1; SMN2RAB9AGRIN1
SCHEMBL7303862 0.67 NR4A3 (0.48) MEN1KMT2ASMN1; SMN2RAB9AKDM4E

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-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 — — US disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PDE10A 1/4885MEN1 2291/4885KMT2A 2193/4885

“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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