SCHEMBL415158

SCHEMBL415158

COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CNCC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.57
PDE2A O00408 1/20 0.52
SLC28A2 O43868 1/20 0.52
PDE5A O76074 1/20 0.52
PDE6A P16499 1/20 0.52
PDE4A P27815 1/20 0.52
PDE7A Q13946 1/20 0.52
PDE3A Q14432 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
PDE11A Q9HCR9 1/20 0.52
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL415190 0.90 PDE10A (0.47) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL415211 0.86 PDE10A (0.57) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL3785633 0.83 PDE10A (0.41) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL417038 0.83 PDE10A (0.56) PDE10AHTR2AHTR2CHTR2B
SCHEMBL7884906 0.75 PDE10A (0.76) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL444730 0.73 PDE10A (1.00) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL14671885 0.73 C5AR1 (0.37) PDE10APDE5AHTR2AHTR2CHTR2B
SCHEMBL14660279 0.72 C5AR1 (0.56) HTR2C
SCHEMBL7888724 0.71 PDE10A (0.81) PDE10APDE2ASLC28A2PDE5APDE6A
Thpp-1 SCHEMBL415756 0.69 PDE10A (1.00) PDE10APDE2ASLC28A2PDE5APDE6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression UNIVERSITY OF SOUTH ALABAMA (US) 2018-08-07 US disclosed
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION UNIVERSITY OF SOUTH ALABAMA (US) 2016-05-26 US disclosed
WO-2015006689-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION UNIVERSITY OF SOUTH ALABAMA (US) 2015-01-15 WO disclosed
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 (3 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-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression PDE4A, PDE7B, PDE2A PDE10A 12/4885PDE2A 3/4885SLC28A2 996/4885
US-20120065211-A1 ALKOXY TETRAHYDRO-PYRIDOPYRIMIDINE PDE10 INHIBITORS PDE12, PDE4A, PDE5A PDE10A 6/4885PDE2A 9/4885SLC28A2 2161/4885
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION PDE4A, PDE7B, PDE2A PDE10A 12/4885PDE2A 3/4885SLC28A2 996/4885

“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.