SCHEMBL6715167

SCHEMBL6715167

O=S(=O)(Nc1cccc(C2=NCCc3cc(C(F)(F)F)ccc32)c1)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
PKLR P30613 1/20 0.46
ERAP1 Q9NZ08 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR1 O14842 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PFKFB3 Q16875 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 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
SCHEMBL6720500 0.91 TSHR (0.50) PKMPKLRERAP1KMT2AMEN1
SCHEMBL6724761 0.90 LMNA (0.44) KMT2AMEN1RAB9ALMNAGAA
SCHEMBL6718416 0.89 TRIM24 (0.45) PKMERAP1KMT2AMEN1RAB9A
SCHEMBL6725400 0.88 SYK (0.48) PKMPKLRERAP1KMT2AMEN1
SCHEMBL6720453 0.88 FFAR4 (0.58) PKMPKLRERAP1KMT2AMEN1
SCHEMBL6716663 0.88 ERAP1 (0.48) PKMPKLRERAP1KMT2AMEN1
SCHEMBL6724641 0.88 ERAP1 (0.48) PKMPKLRERAP1KMT2AMEN1
SCHEMBL6779986 0.88 CYP19A1 (0.43) PKMERAP1KMT2AMEN1LMNA
SCHEMBL7210302 0.86 LMNA (0.48) ERAP1CDK1CCNB1CCNA2CDK2
SCHEMBL6720398 0.86 TSHR (0.47) PKMPKLRKMT2AMEN1FFAR1

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 PKM 1869/4885PKLR 1826/4885ERAP1 2335/4885

“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.