SCHEMBL5490916

SCHEMBL5490916

CC(C)COCc1nc(Nc2ccc(C(F)(F)F)cc2)c2cnn(-c3ccccc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 14/20 0.46
PDE9A O76083 3/20 0.42
PDE1C Q14123 1/20 0.42
TRPV1 Q8NER1 3/20 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
SCHEMBL5467391 0.92 PDE9A (0.39) BCDIN3DPDE9APDE1C
SCHEMBL5491442 0.90 ALDH1A1 (0.46) BCDIN3DPDE9APDE1C
SCHEMBL5473490 0.89 BCDIN3D (0.38) BCDIN3DPDE9APDE1CTRPV1
SCHEMBL14431715 0.78 TRPV1 (0.52) BCDIN3DPDE9APDE1CTRPV1
SCHEMBL5491903 0.78 TRPV1 (0.52) BCDIN3DPDE9APDE1CTRPV1
SCHEMBL5486026 0.75 MAPT (0.57) TRPV1
SCHEMBL4908491 0.73 TRPV1 (0.51) TRPV1
SCHEMBL5472038 0.70 TRPV1 (0.44) BCDIN3DPDE9APDE1CTRPV1
SCHEMBL14431714 0.70 TRPV1 (0.44) BCDIN3DPDE9APDE1CTRPV1
SCHEMBL5472035 0.67 MAPT (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 US disclosed
US-20070197559-A1 Aryl substituted purine analogues NEUROGEN CORPORATION 2007-08-23 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 (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-20070197559-A1 Aryl substituted purine analogues ADORA2A, GART, P2RX7 BCDIN3D 1858/4885PDE9A 409/4885PDE1C 1953/4885

“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.