SCHEMBL901810

SCHEMBL901810

NCCc1ccc2ncccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
PDE10A Q9Y233 8/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.40
DYRK1A Q13627 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
FERMT2 Q96AC1 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
Hydrochloric Acid SCHEMBL2732483 0.98 HRH1 (0.48) HRH1PDE10AMAPTALDH1A1KDM4E
SCHEMBL2175202 0.85 LOXL2 (0.46) PDE10AMAPTALDH1A1KDM4ETP53
SCHEMBL14911641 0.81 PDE10A (0.46) PDE10AMAPTALDH1A1KDM4ECASP1
SCHEMBL27609855 0.81 PDE10A (0.46) PDE10AMAPTALDH1A1KDM4ETP53
SCHEMBL276118 0.79 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ECYP3A4
SCHEMBL8408826 0.77 PDE10A (0.77) HRH1PDE10AMAPTMEN1KMT2A
SCHEMBL8351207 0.77 PDE10A (0.48) PDE10AMAPTALDH1A1KDM4ETP53
SCHEMBL1542502 0.77 ALDH1A1 (0.45) PDE10AMAPTALDH1A1KDM4ETP53
SCHEMBL7505756 0.77 ALDH1A1 (0.45) PDE10AMAPTALDH1A1KDM4ETP53
SCHEMBL2175963 0.77 ALDH1A1 (0.45) PDE10AMAPTALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A HRH1 2198/4885PDE10A 4/4885MAPT 1454/4885
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A HRH1 1466/4885PDE10A 2/4885MAPT 1026/4885

“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.