SCHEMBL6717849

SCHEMBL6717849

O=S(=O)(Nc1cccc(C2=NCCc3ccc(Cl)cc32)c1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.47
CYP19A1 P11511 1/20 0.46
HSD17B2 P37059 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR6 P50406 1/20 0.43
MAPK10 P53779 5/20 0.42
MAPK14 Q16539 2/20 0.41
ITGA1 P56199 1/20 0.41
CCR9 P51686 1/20 0.41
MAPK9 P45984 1/20 0.41
GPR27 Q9NS67 2/20 0.40

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
SCHEMBL6718000 0.92 CYP19A1 (0.46) PGRCYP19A1HSD17B2GAAMAPK10
SCHEMBL6714986 0.90 LMNA (0.48) PGRCYP19A1GAACYP1A2CYP3A4
SCHEMBL6714923 0.90 PGR (0.48) PGRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6714772 0.87 CCR9 (0.48) CYP19A1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL7214704 0.87 DRD2 (0.48) CYP19A1HSD17B2GAACYP1A2CYP3A4
SCHEMBL6714837 0.87 MEN1 (0.43) PGRCYP19A1GAACYP1A2CYP3A4
SCHEMBL6720449 0.86 PFKFB3 (0.48) PGRHTR2AHTR2CDRD3HTR6
SCHEMBL6716766 0.85 FBP1 (0.44) CYP19A1GAAMAPK10CCR9GPR27
SCHEMBL6718177 0.84 ALOX15 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6717738 0.83 MAPK10 (0.43) PGRCYP19A1GAADRD2HTR2A

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-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A PGR 3452/4885CYP19A1 323/4885HSD17B2 81/4885

“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.