SCHEMBL13296428

SCHEMBL13296428

COC(=O)c1ccc(Oc2nccnc2C2=CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11989495 0.81 MEN1 (0.40) MAPTTDP1RAB9ANPC1ALDH1A1
SCHEMBL1304147 0.79 PDE10A (0.42) MAPTCA1CA2TDP1RAB9A
SCHEMBL12115830 0.78 KDM4E (0.42) TDP1RAB9ANPC1KDM4EPOLB
SCHEMBL2944680 0.75 ALDH1A1 (0.48) MAPTCA1CA2TDP1ALDH1A1
SCHEMBL2949298 0.74 ALDH1A1 (0.47) MAPTCA1CA2TDP1ALDH1A1
SCHEMBL2950950 0.74 ALDH1A1 (0.47) MAPTCA1CA2TDP1ALDH1A1
SCHEMBL2949295 0.74 ALDH1A1 (0.47) MAPTCA1CA2TDP1ALDH1A1
SCHEMBL1304356 0.72 MAPT (0.50) MAPTCA1CA2TDP1RAB9A
SCHEMBL29447590 0.71 SPR (0.49) MAPTTDP1RAB9ANPC1KDM4E
SCHEMBL20400938 0.71 SPR (0.49) MAPTTDP1RAB9ANPC1KDM4E

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-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 — — US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 — — 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 (2 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A MAPT 2527/4885CA1 3714/4885CA2 3562/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A MAPT 3514/4885CA1 3077/4885CA2 2552/4885

“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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