SCHEMBL415190

SCHEMBL415190

CCCOc1nc(-c2ccc(Cl)nc2)nc2c1CNCC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.47
PDE2A O00408 1/20 0.43
SLC28A2 O43868 1/20 0.43
PDE5A O76074 1/20 0.43
PDE6A P16499 1/20 0.43
PDE4A P27815 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE3A Q14432 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PDE11A Q9HCR9 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL415158 0.90 PDE10A (0.57) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL417038 0.83 PDE10A (0.56) PDE10ACHRM2CHRM4CHRM5CHRM1
SCHEMBL415211 0.83 PDE10A (0.57) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL3785633 0.82 PDE10A (0.41) PDE10APDE2ASLC28A2PDE5APDE6A
SCHEMBL14671885 0.67 C5AR1 (0.37) PDE10APDE5ACHRM2CHRM4CHRM5
SCHEMBL14660279 0.66 C5AR1 (0.56) HTR2C
SCHEMBL415689 0.65 PDE10A (0.55) PDE10ACHRM2CHRM4CHRM5CHRM1
SCHEMBL21003236 0.64 CHRM3 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9160187 0.63 RAB9A (0.53)
SCHEMBL16210706 0.63 CHRM3 (0.49) PDE10ACHRM2CHRM4CHRM5CHRM1

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 4 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
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

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.