SCHEMBL6720522

SCHEMBL6720522

O=S(=O)(Nc1cccc(C2=NCCc3cc(Cl)ccc32)c1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
CCNA1 P78396 1/20 0.47
CDK6 Q00534 1/20 0.47
LMNA P02545 1/20 0.45
ITGA1 P56199 3/20 0.44
TP53 P04637 1/20 0.43
PPARG P37231 2/20 0.42
CYP3A4 P08684 1/20 0.42
PFKFB4 Q16877 1/20 0.42
MCL1 Q07820 2/20 0.41
PFKFB3 Q16875 1/20 0.40
P2RX1 P51575 1/20 0.40
MAPK10 P53779 3/20 0.40
MAPK9 P45984 1/20 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
SCHEMBL6714983 0.95 CDK1 (0.50) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6717790 0.94 CDK1 (0.47) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6718694 0.92 PFKFB3 (0.48) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6716447 0.91 CDK1 (0.49) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6715063 0.90 SGK1 (0.46) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6725587 0.88 TSHR (0.47) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6724669 0.88 PFKFB3 (0.53) LMNAITGA1TP53PFKFB3MAPK10
SCHEMBL6716641 0.88 PFKFB3 (0.47) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6724899 0.85 SGK1 (0.48) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL6714790 0.85 LMNA (0.47) CDK1CCNB1CCNA2CCND1CDK2

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 2 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

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 CDK1 2926/4885CCNB1 4052/4885CCNA2 3628/4885

“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.