SCHEMBL101644

SCHEMBL101644

CCNS(=O)(=O)c1ccc2ccc3c(c2c1)C(C)(C)C(C)=N3

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.42
VCAM1 P19320 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 3/20 0.36
CYP2C9 P11712 1/20 0.36
PARG Q86W56 1/20 0.36
TNNI3K Q59H18 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
SCHEMBL101283 0.82 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL101662 0.81 MEN1 (0.38) KMT2AMEN1ALDH1A1VCAM1SMN1; SMN2
SCHEMBL101643 0.77 CYP2D6 (0.37) KMT2AMEN1ALDH1A1BRD4
SCHEMBL4021394 0.74 MEN1 (0.55) KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL4296859 0.73 MEN1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL9815014 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL9815017 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1CYP2C9
Potassium Ion SCHEMBL4296985 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1CYP2C9
SCHEMBL28948590 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
Potassium Ion SCHEMBL30084855 0.72 MEN1 (0.55) KMT2AMEN1ALDH1A1CYP2C9

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
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 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 (2 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-20120052506-A1 CYANINE DYES ABCG2, IK, ACR KMT2A 2564/4885MEN1 2288/4885ALDH1A1 1447/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR KMT2A 3543/4885MEN1 3947/4885ALDH1A1 1508/4885

“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.