SCHEMBL5475684

SCHEMBL5475684

COc1ccc(C(=O)C(C)CC=O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
CLPP Q16740 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
ITGB1 P05556 1/20 0.38

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
SCHEMBL5945249 0.84 HTT (0.54) RAB9AMAPTTP53HTTNPC1
SCHEMBL5786742 0.82 ALDH1A1 (0.47) RAB9AMAPTNPC1MAPK1CYP3A4
SCHEMBL5465739 0.82 JAK2 (0.45) JAK2TYK2CLPPRAB9AMAPT
SCHEMBL14419354 0.79 NPC1 (0.35) RAB9AMAPTTP53HTTNPC1
SCHEMBL1922880 0.78 JAK2 (0.49) JAK2TYK2CLPPRAB9AMAPT
SCHEMBL29966096 0.74 KDM4E (0.54) JAK2TYK2RAB9AMAPTFLT1
SCHEMBL2468448 0.74 KDM4E (0.54) JAK2TYK2RAB9AMAPTFLT1
SCHEMBL7091405 0.73 RAB9A (0.65) JAK2TYK2RAB9AMAPTFLT1
SCHEMBL473972 0.72 ALDH1A1 (0.65) JAK2TYK2RAB9AMAPTFLT1
SCHEMBL295414 0.72 SMN1; SMN2 (0.57) JAK2TYK2RAB9AMAPTFLT1

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 6 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-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 JAK2 1347/4885TYK2 3379/4885CLPP 3942/4885
US-20070224636-A1 Pyrrolo[1,2b]pyridazine compounds and their uses CRHR1, CRHR2, CRH JAK2 1295/4885TYK2 3157/4885CLPP 3491/4885

“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.