SCHEMBL2583555

SCHEMBL2583555

NS(=O)(=O)c1ccccc1-c1cnn(CCN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.43
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL2580860 0.86 JAK2 (0.42) ALDH1A1TP53JAK2JAK3PTK2
SCHEMBL2580794 0.81 HRH3 (0.44) ALDH1A1TP53JAK2JAK3KDR
Hydrochloric Acid SCHEMBL2579635 0.80 HRH3 (0.43) ALDH1A1TP53JAK2JAK3KDR
SCHEMBL28822500 0.78 SIGMAR1 (0.51) ALDH1A1TP53JAK2JAK3JAK1
SCHEMBL2583745 0.78 PARP1 (0.45) ALDH1A1TP53JAK2JAK3KDR
SCHEMBL1386769 0.77 L3MBTL1 (0.53)
SCHEMBL10545945 0.77 BRD4 (0.50) ALOX5APFEN1
SCHEMBL2579736 0.77 HRH3 (0.44) ALDH1A1TP53JAK2JAK3PTK2
SCHEMBL19551716 0.75 P2RX4 (0.57)
SCHEMBL4045659 0.75 HRH3 (0.56) ALDH1A1TP53KDR

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-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 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 (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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 ACVR1 1815/4885ALDH1A1 2487/4885TP53 2168/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 ACVR1 1841/4885ALDH1A1 2499/4885TP53 2139/4885

“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.