SCHEMBL5784458

SCHEMBL5784458

Cc1ccn(N)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
LMNA P02545 1/20 0.44
DPP4 P27487 7/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CRHR1 P34998 3/20 0.40
AHR P35869 1/20 0.39
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
CYP3A4 P08684 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5478017 0.81 HSP90AA1 (0.43) DPP4KMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL25204585 0.73 SMN1; SMN2 (0.34) CYP3A4
SCHEMBL464507 0.72 AHR (0.64) HSD11B1HSP90AA1HSP90AB1CRHR1AHR
SCHEMBL29624840 0.72 AHR (0.64) HSD11B1HSP90AA1HSP90AB1CRHR1AHR
SCHEMBL5889678 0.70 MEN1 (0.40) HSD11B1DPP4KMT2AMEN1CRHR1
SCHEMBL3761176 0.68 CRHR1 (0.53) HSD11B1DPP4KMT2AMEN1CRHR1
SCHEMBL14744467 0.68 PLA2G7 (0.66) HSD11B1DPP4HSP90AA1HSP90AB1CRHR1
SCHEMBL14996668 0.68 HSD11B1 (0.53) HSD11B1KMT2AMEN1CRHR1
SCHEMBL5849283 0.67 DPP4 (0.45) HSD11B1LMNADPP4KMT2AHSP90AA1
SCHEMBL5847143 0.67 DPP4 (0.51) HSD11B1DPP4KMT2AMEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074791-B2 Pyrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. (US) 2006-07-11 US disclosed
EP-1622911-A2 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-08 EP disclosed
EP-1615929-A1 PYRROLO [1,2-B] PYRIDAZINE COMPOUNDS AND THEIR USES Pharmacia & Upjohn Company LLC (US) 2006-01-18 EP disclosed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US disclosed
WO-2004099213-A2 PYRROLO (1,2-B) PYRIDAZINE COMPOUNDS AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
WO-2004092176-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040138221-A1 Pyrrrolo[1,2-b]pyridazine compounds and their uses PFIZER INC. 2004-07-15 US disclosed
WO-2004035586-A1 PYRROLO[1,2-B]PYRIDAZINE COMPOUNDS AND THEIR USES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-29 WO 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-20040138221-A1 Pyrrrolo[1,2-b]pyridazine compounds and their uses CRHR1, CRHR2, MC2R HSD11B1 329/4885LMNA 4485/4885DPP4 1497/4885
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds CRHR1, CRHR2, CRH HSD11B1 186/4885LMNA 4401/4885DPP4 1351/4885

“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.