SCHEMBL2311620

SCHEMBL2311620

CCNC(=NS(=O)(=O)c1ccc(N)c(Br)c1)N1CC(C)(C)C=N1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.51
HTR2B P41595 1/20 0.46
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL2311616 1.00 HTR6 (0.51) HTR6HTR2BCA12CA1CA2
SCHEMBL6885394 1.00 HTR6 (0.51) HTR6HTR2BCA12CA1CA2
SCHEMBL7997566 0.88 HTR6 (0.55) HTR6HTR2B
SCHEMBL1178930 0.88 HTR6 (0.55) HTR6HTR2B
SCHEMBL1178934 0.88 HTR6 (0.55) HTR6HTR2B
SCHEMBL6885750 0.86 HTR6 (0.64) HTR6HTR2B
SCHEMBL1178956 0.86 HTR6 (0.64) HTR6HTR2B
SCHEMBL1178954 0.86 HTR6 (0.64) HTR6HTR2B
SCHEMBL1179376 0.85 HTR6 (0.53) HTR6HTR2B
SCHEMBL1179374 0.85 HTR6 (0.53) HTR6HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
EP-2528900-B1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBVIE BAHAMAS LTD (BS) 2014-06-11 EP disclosed
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HOSPITALS LIMITED (BS) 2013-03-07 US disclosed
EP-2528900-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES Abbott Healthcare Products B.V. (NL) 2012-12-05 EP disclosed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 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-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES HTR6, HTR5A, HTR4 HTR6 1/4885HTR2B 16/4885CA12 4716/4885

“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.