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
SCHEMBL7662000 0.82 HRH3 (0.47) TLR8HRH4IRAK4ALDH1A1
SCHEMBL7653336 0.82 KDM4D (0.46) HTTNPC1CDK2MAPK1
SCHEMBL1751921 0.81 — —
SCHEMBL7119883 0.80 HRH3 (0.36) HRH4ALDH1A1LMNA
SCHEMBL5897125 0.78 HRH3 (0.35) HRH4
SCHEMBL6641016 0.78 KDM4E (0.39) ROCK2MAP4K4PIM1CDK2GSK3B
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.

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