SCHEMBL13780256

SCHEMBL13780256

Clc1ccc(CNc2nc(Cl)nc3c2SCCC3)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.42
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PAK1 Q13153 1/20 0.34

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
SCHEMBL11104756 0.72 PDE4B (0.36) PDE4BPDE4D
Hydrochloric Acid SCHEMBL4327474 0.72 HTR2B (0.42) P2RX7LMNACCR4HPGDNPSR1
SCHEMBL31572366 0.70 PDE4B (0.51) PDE4BPDE4DALDH1A1
SCHEMBL4326289 0.70 EPHX2 (0.41) P2RX7CCR4HPGDNPSR1
SCHEMBL11112029 0.70 PDE4B (0.35) PDE4BPDE4D
SCHEMBL4208839 0.68 PDE4A (0.41) PDE4BPDE4DHPGDNPSR1
SCHEMBL31571895 0.68 PDE4B (0.38) PDE4BPDE4D
SCHEMBL13780251 0.68 APP (0.63) LMNACCR4HPGDNPSR1ALDH1A1
SCHEMBL6820585 0.67 CDK1 (0.57) ADORA3
SCHEMBL31491295 0.67 CD38 (0.36) —

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-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

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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 P2RX7 812/4885PDE4B 504/4885PDE4D 1250/4885

“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.

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