SCHEMBL359719

SCHEMBL359719

Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 1.00
PDE5A O76074 1/20 1.00
PDE1B Q01064 1/20 1.00
PDE4D Q08499 1/20 1.00
PDE3A Q14432 1/20 1.00
PDE7B Q9NP56 1/20 1.00
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL362764 0.89 PDE10A (0.79) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL362917 0.89 PDE10A (0.79) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL361693 0.89 PDE10A (0.79) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363959 0.88 PDE10A (0.79) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL361777 0.81 PDE10A (0.68) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363960 0.80 PDE10A (0.67) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL362925 0.77 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL364108 0.75 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL363715 0.73 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A
SCHEMBL370737 0.73 PDE10A (1.00) PDE10APDE5APDE1BPDE4DPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO claimed
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-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 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-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression PDE4A, PDE7B, PDE2A PDE10A 12/4885PDE5A 5/4885PDE1B 20/4885
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION PDE4A, PDE7B, PDE2A PDE10A 12/4885PDE5A 5/4885PDE1B 20/4885

“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.