SCHEMBL2968420

SCHEMBL2968420

O=C(NCCCNc1nsc2ccccc12)c1ccc(-c2cccc(Cl)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 14/20 0.48
C3AR1 Q16581 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ESR1 P03372 2/20 0.42
ESRRG P62508 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL2968437 0.91 ACKR3 (0.56) ACKR3
SCHEMBL2978519 0.87 ACKR3 (0.46) ACKR3HDAC6
SCHEMBL13220761 0.87 ACKR3 (0.51) ACKR3
SCHEMBL13202872 0.86 ACKR3 (0.46) ACKR3
SCHEMBL2975528 0.86 HPGDS (0.49) ACKR3ESRRG
SCHEMBL2977153 0.85 ACKR3 (0.47) ACKR3
SCHEMBL2962597 0.85 HDAC3 (0.51) ACKR3HDAC1HDAC6
SCHEMBL2968524 0.83 ACKR3 (0.58) ACKR3
SCHEMBL2978276 0.83 ACKR3 (0.45) ACKR3ESR1ESRRG
SCHEMBL2978184 0.79 TP53 (0.40)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS ACKR3 3124/4885C3AR1 3830/4885DYRK1A 4766/4885

“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.