SCHEMBL6018968

SCHEMBL6018968

Cc1cc(N2CC=C(C(N)=O)CC2)c2cc(C)c(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.38
SMPD2 O60906 2/20 0.37
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
NPC1 O15118 1/20 0.36
CRHR1 P34998 3/20 0.34
TRPV1 Q8NER1 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
SCHEMBL6883642 0.84 DPP4 (0.37) DPP4SMPD2CNR1CNR2NPC1
SCHEMBL6020955 0.81 DPP4 (0.41) DPP4SMPD2CNR1CNR2NPC1
SCHEMBL5249196 0.74 CRHR1 (0.52) CRHR1
SCHEMBL5847745 0.74 NPC1 (0.36) DPP4CNR1CNR2NPC1CRHR1
SCHEMBL6019572 0.73 HSD17B10 (0.38) DPP4SMPD2CNR1CNR2NPC1
SCHEMBL6018979 0.72 HSD17B10 (0.42) DPP4SMPD2NPC1CRHR1
SCHEMBL5848102 0.71 CRHR1 (0.41) DPP4CNR1CNR2NPC1CRHR1
SCHEMBL5804461 0.71 NPC1 (0.50) DPP4NPC1CRHR1
SCHEMBL5409567 0.69 CRHR1 (0.38) CNR1CNR2CRHR1TRPV1
SCHEMBL5788518 0.69 DPP4 (0.48) DPP4NPC1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US claimed
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 claimed
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 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 (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-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds CRHR1, CRHR2, CRH DPP4 1351/4885SMPD2 3229/4885CNR1 8/4885

“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.