Sugi Predict

Sugi Predict / Compounds / SCHEMBL2085244

SCHEMBL2085244

SCHEMBL2085244

O=C(O)c1cnn2c(-c3ccc(C(F)F)cc3F)c(-c3ccccc3Cl)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.37
▸ AKR1C2 P52895 6/20 0.37
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ APP P05067 2/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ FABP2 P12104 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ ADRA2B P18089 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
SCHEMBL2085923 0.89 DHODH (0.42) TP53DHODHMAPTKDM4EEIF4E
SCHEMBL2084194 0.88 KDM4E (0.42) TP53TSHRLMNAMAPTHPGD
SCHEMBL4113927 0.86 KDM4E (0.39) TP53THRBMAPTKDM4EEIF4E
SCHEMBL4126386 0.79 KMO (0.39) DHODHMEN1KMT2AMAPTHPGD
SCHEMBL2083955 0.76 RAB9A (0.51) TP53DHODHLMNAMAPTHPGD
SCHEMBL2086291 0.75 CNR1 (0.40) —
SCHEMBL4115118 0.74 NPC1 (0.46) TP53TSHRLMNAMAPTHPGD
SCHEMBL2087476 0.73 NPC1 (0.43) TP53TSHRLMNAMAPTHPGD
SCHEMBL4115655 0.73 GPR119 (0.43) MAPTHIF1AKDM4EALDH1A1
SCHEMBL2085357 0.72 PDE2A (0.38) —

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 AKR1C3 1063/4885AKR1C2 1539/4885TP53 3212/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR AKR1C3 1004/4885AKR1C2 1464/4885TP53 3655/4885

“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.