SCHEMBL14716249

SCHEMBL14716249

Cc1cnc2c(c1)c1c(n2CC(N=[N+]=[N-])c2ccncc2)CCNC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.34
SIRT1 Q96EB6 2/20 0.34
PKN1 Q16512 1/20 0.30
PKN2 Q16513 1/20 0.30

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
SCHEMBL14716694 0.89 SIRT2 (0.33) SIRT2SIRT1
SCHEMBL12480762 0.84 SIRT2 (0.36) SIRT2SIRT1PKN1PKN2
SCHEMBL14716300 0.84 HRH1 (0.46)
SCHEMBL13833888 0.83 SIRT2 (0.37) SIRT2SIRT1PKN1PKN2
SCHEMBL14719655 0.78
SCHEMBL14716251 0.74 HRH1 (0.41) SIRT2SIRT1
SCHEMBL13834536 0.72 SIGMAR1 (0.35) SIRT2SIRT1
SCHEMBL13833891 0.71 SIRT2 (0.35) SIRT2SIRT1
SCHEMBL13834062 0.70 HRH1 (0.61)
SCHEMBL16638430 0.69 KMT2A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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 (5 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SIRT2 1447/4885SIRT1 2145/4885PKN1 1200/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C SIRT2 729/4885SIRT1 2207/4885PKN1 2266/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SIRT2 1447/4885SIRT1 2145/4885PKN1 1200/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SIRT2 1447/4885SIRT1 2145/4885PKN1 1200/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C SIRT2 738/4885SIRT1 2196/4885PKN1 2291/4885

“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.