Sugi Predict

Sugi Predict / Compounds / SCHEMBL5465744

SCHEMBL5465744

SCHEMBL5465744

COc1ccc(-c2c(C)cc3c(O)cc(C)nn23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 13/20 0.41
▸ MAPT P10636 2/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5945262 0.89 CRHR1 (0.42) CRHR1MAPTNPC1KDM4E
SCHEMBL5475681 0.85 CRHR1 (0.41) CRHR1DPP4DPP8DPP9HSP90AA1
SCHEMBL5804461 0.85 NPC1 (0.50) CRHR1DPP4DPP8DPP9HSP90AA1
SCHEMBL5465128 0.78 CRHR1 (0.52) CRHR1
SCHEMBL5473168 0.77 CRHR1 (0.45) CRHR1
SCHEMBL5945263 0.73 CRHR1 (0.42) CRHR1MAPTKDM4E
SCHEMBL5849690 0.73 HSP90AA1 (0.42) CRHR1DPP4DPP8DPP9HSP90AA1
SCHEMBL2255137 0.72 CRHR1 (0.44) CRHR1DPP4DPP8DPP9HSP90AA1
SCHEMBL5848602 0.72 POLB (0.41) CRHR1MAPTKMT2AKDM4ETDP1
SCHEMBL5788518 0.69 DPP4 (0.48) CRHR1DPP4DPP8DPP9HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses PFIZER INC 2007-09-27 — — US disclosed
US-7056920-B2 Pyrrolo[1,2-B]pyridazine compounds and their uses PFIZER INC (US) 2006-06-06 — — US disclosed
EP-1613631-A1 PYRROLO 1,2-B PYRIDAZINE COMPOUNDS AND THEIR USES Pharmacia & Upjohn Company LLC (US) 2006-01-11 — — EP disclosed
WO-2004087709-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-14 — — WO disclosed
US-20040204415-A1 Pyrrolo[1,2-B]pyridazine compounds and their uses PFIZER INC 2004-10-14 — — 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-20040204415-A1 Pyrrolo[1,2-B]pyridazine compounds and their uses CRHR1, CRHR2, CRH CRHR1 1/4885MAPT 3276/4885DPP4 1559/4885
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses CRHR1, CRHR2, CRH CRHR1 1/4885MAPT 3246/4885DPP4 1272/4885

“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.