SCHEMBL13777965

SCHEMBL13777965

Cn1ncc2nc(Cl)nc(NCc3ccc(Cl)cc3Cl)c21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.52
P2RX7 Q99572 5/20 0.46
LMNA P02545 2/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
PDE9A O76083 2/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCR4 P51679 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
SCHEMBL4206499 0.82 PDE2A (0.42) PDE2AP2RX7LMNAPDE9AHPGD
SCHEMBL13777964 0.79 HPGD (0.45) P2RX7LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL22245241 0.77 PDE9A (0.59) P2RX7LMNAPDE9A
SCHEMBL13780251 0.74 APP (0.63) PDE2ALMNAMAPTHPGDALDH1A1
SCHEMBL13106106 0.73 P2RX7 (0.49) PDE2AP2RX7LMNAPDE9AMAPT
SCHEMBL13780252 0.72 HPGD (0.41) PDE2AP2RX7LMNAMAPTHPGD
SCHEMBL21214764 0.72 HPGD (0.45) PDE2AP2RX7LMNAPDE9AMAPT
SCHEMBL4208839 0.72 PDE4A (0.41) HPGDNPSR1
SCHEMBL13106540 0.72 TRPM5 (0.60) P2RX7PDE9AMAPT
SCHEMBL13780274 0.68 HPGD (0.51) LMNAMAPTHPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 PDE2A 3624/4885P2RX7 812/4885LMNA 4047/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 PDE2A 3972/4885P2RX7 1212/4885LMNA 4719/4885

“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.