SCHEMBL15733342

SCHEMBL15733342

Brc1c(-c2ccncc2)nc2n1CCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PDE10A Q9Y233 1/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TGFBR1 P36897 3/20 0.39
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL991856 0.85 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL990288 0.83 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL9297972 0.81 PDE10A (0.57) NPC1RAB9ASMN1; SMN2PDE10AATM
SCHEMBL4839190 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15823964 0.78 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2ATMALDH1A1
SCHEMBL9752587 0.77 PDE10A (0.60) NPC1RAB9ASMN1; SMN2PDE10AALDH1A1
SCHEMBL9293426 0.77 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2PDE10AATM
SCHEMBL7378515 0.75 TGFBR1 (0.65) SMN1; SMN2PDE10ATGFBR1KDM4ECSNK1D
SCHEMBL7343693 0.75 TGFBR1 (0.65) SMN1; SMN2PDE10ATGFBR1KDM4ECSNK1D
SCHEMBL9199906 0.75 PDE10A (0.57) NPC1RAB9ASMN1; SMN2PDE10AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 EP disclosed
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 EP disclosed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 WO disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A NPC1 2521/4885RAB9A 659/4885SMN1; SMN2 2650/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A NPC1 2513/4885RAB9A 658/4885SMN1; SMN2 2648/4885

“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.