SCHEMBL5237595

SCHEMBL5237595

Cc1c(C)n(CC2C[C@@H]2C)c2c(=O)[nH]ncc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4A O75164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.33
CHRM4 P08173 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL5237590 1.00 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL7474494 1.00 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL7476910 0.84 KDM4E (0.41) CYP1A2CYP2C9CYP2C19CYP3A4KDM4E
SCHEMBL7473946 0.81 TRPC5 (0.44) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL7477781 0.76 KDM4E (0.47) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL9739218 0.75 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL7474836 0.75 KDM4E (0.43) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL7475545 0.74 KDM4E (0.42) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL7478981 0.74 KDM4E (0.42) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10
SCHEMBL7474802 0.74 KDM4E (0.43) CYP1A2CYP2C9CYP2C19KDM4EHSD17B10

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
EP-1254907-B1 PYRROLOPYRIDAZINE COMPOUND SANKYO CO (JP) 2007-05-09 EP disclosed
US-6734181-B2 GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS SANKYO COMPANY, LIMITED (JP) 2004-05-11 US disclosed
US-20040014762-A1 Pyrrolopyridazine compounds SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
US-6670360-B2 Antiulcer, antibacterial activity against Helicobacter pylori SANKYO COMPANY, LIMITED (JP) 2003-12-30 US disclosed
EP-1186607-B1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS SANKYO CO (JP) 2003-05-21 EP disclosed
EP-1254907-A1 PYRROLOPYRIDAZINE COMPOUND Sankyo Company, Limited (JP) 2002-11-06 EP disclosed
US-20020156079-A1 Optically active pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2002-10-24 US disclosed
EP-1186607-A1 OPTICALLY ACTIVE PYRROLOPYRIDAZINE COMPOUNDS Sankyo Company, Limited (JP) 2002-03-13 EP 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-20020156079-A1 Optically active pyrrolopyridazine derivatives GIPR, HRH2, PGA5 CYP1A2 858/4885CYP2C9 1260/4885CYP2C19 259/4885
US-20040014762-A1 Pyrrolopyridazine compounds HRH2, ADH1C, GIPR CYP1A2 1171/4885CYP2C9 821/4885CYP2C19 357/4885

“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.