SCHEMBL415101

SCHEMBL415101

CC(C)Oc1nc(Cl)nc2c1CN(Cc1ccccc1)CC2

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.77
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CLPP Q16740 7/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADORA2A P29274 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PNMT P11086 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL14660387 0.87 C5AR1 (1.00) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL14660296 0.81 C5AR1 (0.76) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL16260722 0.80 C5AR1 (0.71) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL416164 0.80 C5AR1 (0.70) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL20974778 0.80 C5AR1 (0.86) C5AR1KMT2AMEN1CLPPGAA
Hydrochloric Acid SCHEMBL4316740 0.79 C5AR1 (0.69) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL23413091 0.78 C5AR1 (0.67) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL29888597 0.78 C5AR1 (0.67) C5AR1KMT2AMEN1CLPPGAA
SCHEMBL3783051 0.76 PDE10A (0.50) C5AR1
SCHEMBL20589776 0.75 C5AR1 (0.63) C5AR1KMT2AMEN1CLPPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
EP-2434885-B1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-8492392-B2 Alkoxy tetrahydro-pyridopyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-23 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-15 US disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed
WO-2010138430-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 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-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A C5AR1 4387/4885KMT2A 1391/4885MEN1 4681/4885

“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.