SCHEMBL13780298

SCHEMBL13780298

CSc1nc(NCc2ccc(Cl)cc2Cl)c(C(N)=O)c(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ STAT6 P42226 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ MTOR P42345 2/20 0.40
▸ CYP2A13 Q16696 1/20 0.39
▸ CD38 P28907 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ SRC P12931 1/20 0.39

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
SCHEMBL4206470 0.82 PPARG (0.50) NPSR1LMNAALDH1A1CD38P2RX7
SCHEMBL4211696 0.81 CD38 (0.45) NPSR1MEN1LMNAKMT2AALDH1A1
SCHEMBL4207755 0.81 CD38 (0.45) NPSR1LMNAALDH1A1CD38
SCHEMBL4207825 0.81 CD38 (0.45) NPSR1LMNAALDH1A1CD38
SCHEMBL13780296 0.78 HPGD (0.45) NPSR1LMNAALDH1A1CD38P2RX7
SCHEMBL13780295 0.78 CD38 (0.43) NPSR1LMNAALDH1A1CD38P2RX7
SCHEMBL4209467 0.75 PPARG (0.44) NPSR1LMNAALDH1A1CD38
SCHEMBL4213051 0.74 PPARG (0.54) NPSR1LMNAALDH1A1CD38ABL1
SCHEMBL4368506 0.74 CD38 (0.46) NPSR1MEN1LMNAKMT2AALDH1A1
SCHEMBL4202027 0.70 CCR4 (0.42) P2RX7

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 NPSR1 2574/4885CYP1A2 1309/4885CYP3A4 173/4885

“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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