SCHEMBL5789475

SCHEMBL5789475

CC(CCO)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL9114220 0.84 TDP1 (0.50) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL14419355 0.84 PRKAB2 (0.37) ALDH1A1MAPK1HIF1ATSHRSMN1; SMN2
SCHEMBL10874236 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL9114275 0.82 MAPT (0.51) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL9112200 0.82 MAPT (0.51) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL5465739 0.82 JAK2 (0.45) ALDH1A1MAPK1MAPTTDP1GAA
SCHEMBL513427 0.81 TSHR (0.53) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL5786742 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL8196836 0.79 SMN1; SMN2 (0.59) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL30209768 0.79 SMN1; SMN2 (0.59) ALDH1A1MAPK1HIF1ATSHRCASP1

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 ALDH1A1 1123/4885MAPK1 718/4885HIF1A 688/4885
US-20040242587-A1 Pyrrolo[1,2-b]pyridazine compounds CRHR1, CRHR2, CRH ALDH1A1 705/4885MAPK1 306/4885HIF1A 627/4885

“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.