Sugi Predict

Sugi Predict / Compounds / SCHEMBL2087503

SCHEMBL2087503

SCHEMBL2087503

N#Cc1ccccc1-c1cnc2c(C(=O)NC3(C(N)=O)CCCCC3)cnn2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTSL P07711 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ERAP1 Q9NZ08 3/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ FPR1 P21462 1/20 0.32

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
SCHEMBL2085529 0.89 CNR1 (0.41) KDM4EALDH1A1RXFP1JAK1JAK3
SCHEMBL2085521 0.88 ERAP1 (0.38) KDM4EALDH1A1RXFP1ERAP1CNR1
SCHEMBL2085533 0.83 CNR1 (0.41) KDM4EALDH1A1RXFP1CNR1NPC1
SCHEMBL4115086 0.82 CNR1 (0.44) KDM4EALDH1A1RXFP1LMNAPOLB
SCHEMBL2085472 0.82 ERAP1 (0.44) KDM4EALDH1A1RXFP1ERAP1CNR1
SCHEMBL2087612 0.81 ERAP1 (0.42) KDM4EALDH1A1RXFP1ERAP1CNR1
SCHEMBL1754129 0.80 NPC1 (0.37) CTSLCNR1NPC1RAB9A
SCHEMBL2086361 0.80 ERAP1 (0.45) KDM4EALDH1A1RXFP1ERAP1NPC1
SCHEMBL2086705 0.80 ERAP1 (0.36) POLBCTSLCTSKERAP1CNR1
SCHEMBL2083501 0.80 DGAT2 (0.41) LMNAPOLBERAP1CNR1NPC1

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-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 — — US disclosed
EP-2035427-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2013-12-11 — — EP disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 — — EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 — — US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 — — US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 — — 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 (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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KDM4E 1550/4885ALDH1A1 2507/4885RXFP1 115/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR KDM4E 1486/4885ALDH1A1 2256/4885RXFP1 109/4885

“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.