SCHEMBL15475705

SCHEMBL15475705

COc1cc(F)cc(-c2c(O)nn(C)c2N)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
PIK3CD O00329 3/20 0.35
BTK Q06187 3/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 1/20 0.35
LRRK2 Q5S007 3/20 0.34
GRK6 P43250 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CSNK1E P49674 1/20 0.34
MGLL Q99685 1/20 0.33
PTGS2 P35354 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL15475895 0.90 ABL1 (0.40) POLBFGFR1FGFR2FGFR3
SCHEMBL15475795 0.87 MAPK14 (0.41) PIK3CDMAPK14POLBSRCKDR
SCHEMBL15475490 0.71 SMN1; SMN2 (0.50) PIK3CDPOLBSRC
SCHEMBL6289612 0.69 MAPT (0.50) MAPK14POLBSRCBRAFKDR
SCHEMBL173553 0.68 PDE2A (0.47) MAPK14POLBFGFR1FGFR2FGFR3
SCHEMBL25577343 0.66 CYP3A4 (0.46) KDM1ALRRK2PTGS2SRC
SCHEMBL1337757 0.65 KDM1A (0.40) KDM1APIK3CDBTKLRRK2GRK6
SCHEMBL130486 0.65 PIK3CD (0.63) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL17514802 0.63 ALDH1A1 (0.48)
SCHEMBL168353 0.62 ALDH1A1 (0.69) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885299-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-05 EP disclosed
US-9464085-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-11 US disclosed
EP-2885299-A1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2015-06-24 EP disclosed
US-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 US disclosed
WO-2014027078-A1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-02-20 WO 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-20140051695-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE7A KDM1A 1115/4885PIK3CD 863/4885BTK 2543/4885

“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.