SCHEMBL6018979

SCHEMBL6018979

Cc1cc(N2CCC3(CC2)OCCO3)c2cc(C)c(-c3ccc(Cl)cc3Cl)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 3/20 0.39
CRHR1 P34998 6/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
SMPD2 O60906 1/20 0.34
USP2 O75604 1/20 0.34
HCRTR1 O43613 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6019572 0.94 HSD17B10 (0.38) HSD17B10DPP4CRHR1ATMNPC1
SCHEMBL6020955 0.81 DPP4 (0.41) DPP4CRHR1NPC1SMPD2
SCHEMBL6883642 0.74 DPP4 (0.37) DPP4CRHR1NPC1SMPD2
SCHEMBL6018968 0.72 DPP4 (0.38) DPP4CRHR1NPC1SMPD2
SCHEMBL5804461 0.72 NPC1 (0.50) DPP4CRHR1NPC1ALDH1A1HPGD
SCHEMBL5788518 0.72 DPP4 (0.48) DPP4CRHR1NPC1ALDH1A1HPGD
SCHEMBL5246961 0.72 CRHR1 (0.57) HSD17B10CRHR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6018914 0.67 ADORA2A (0.38) DPP4CRHR1NPC1
SCHEMBL29931972 0.67 ATM (0.48) HSD17B10ATMNPC1ALDH1A1MAPT
SCHEMBL17543165 0.67 ATM (0.48) HSD17B10ATMNPC1ALDH1A1MAPT

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
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds PFIZER INC 2004-12-02 US claimed
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
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

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 HSD17B10 1695/4885DPP4 1351/4885CRHR1 1/4885

“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.