SCHEMBL574419

SCHEMBL574419

CCCCNc1c[c]ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.46
HRH4 Q9H3N8 4/20 0.41
HCAR3 P49019 2/20 0.40
DNM2 P50570 4/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.35
CNR2 P34972 1/20 0.35
BCHE P06276 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC4 Q9UBN4 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34

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
SCHEMBL5485787 0.95 DNM2 (0.42) TLR8HRH4HCAR3DNM2SMN1; SMN2
SCHEMBL27699250 0.93 DNM2 (0.44) TLR8HRH4HCAR3DNM2SMN1; SMN2
SCHEMBL15688595 0.89 HCAR3 (0.37) TLR8HRH4HCAR3HTTSMN1; SMN2
SCHEMBL7653336 0.82 KDM4D (0.46) HTTNPC1CDK2MAPK1
SCHEMBL7662000 0.82 HRH3 (0.47) TLR8HRH4IRAK4ALDH1A1
SCHEMBL1751921 0.81
SCHEMBL7119883 0.80 HRH3 (0.36) HRH4ALDH1A1LMNA
SCHEMBL6641016 0.78 KDM4E (0.39) ROCK2MAP4K4PIM1CDK2GSK3B
SCHEMBL5897125 0.78 HRH3 (0.35) HRH4
SCHEMBL7121214 0.77 CYP2C19 (0.56) HRH4DNM2MAP4K4

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
EP-2601185-B1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-10-07 EP disclosed
US-9114137-B2 Derivatives of pyrazolophenyl-benzenesulfonamide compounds and use thereof as antitumor agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-08-25 US disclosed
US-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS LSI FINANCING 1 DESIGNATED ACTIVITY COMPANY (IE) 2013-08-22 US disclosed
EP-2601185-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2013-06-12 EP disclosed
CN-103153980-A Derivatives of pyrazolophenylbenzenesulfonamide compounds and their use as antitumor agents NERVIANO MEDICAL SCIENCES SRL 2013-06-12 CN disclosed
WO-2012016993-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-09 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-20130217715-A1 DERIVATIVES OF PYRAZOLOPHENYL-BENZENESULFONAMIDE COMPOUNDS AND USE THEREOF AS ANTITUMOR AGENTS CDK2, CDK1, CDK4 TLR8 4566/4885HRH4 2560/4885HCAR3 3662/4885

“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.