SCHEMBL264497

SCHEMBL264497

Nc1ncc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 6/20 0.50
GAA P10253 4/20 0.50
USP2 O75604 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
DHFR P00374 1/20 0.50
ESR1 P03372 1/20 0.50
GLA P06280 1/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
BRD4 O60885 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL14634475 0.90 TSHR (0.46) NPSR1ALDH1A1GAAUSP2HSD17B10
SCHEMBL265834 0.88 CCNE2 (0.51) DHFRMAPK1TSHRBRD4LMNA
SCHEMBL30995670 0.84 ALDH1A1 (0.47) NPSR1ALDH1A1GAAUSP2HSD17B10
SCHEMBL28809367 0.78 DHFR (0.58) DHFRCYP2C9
Pyrrolidine SCHEMBL28949357 0.78 DHFR (0.52) ALDH1A1HSD17B10DHFRTSHR
SCHEMBL27953454 0.76 DHFR (0.63) DHFR
SCHEMBL14634711 0.76 NPSR1 (0.42) NPSR1ALDH1A1GAAUSP2HSD17B10
SCHEMBL15308588 0.75 NPSR1 (0.58) NPSR1ALDH1A1GAAUSP2HSD17B10
SCHEMBL16628980 0.75 NPSR1 (0.53) NPSR1ALDH1A1GAAUSP2HSD17B10
SCHEMBL4473290 0.73 POLB (0.53) ALDH1A1GAAUSP2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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 (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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 NPSR1 2280/4885ALDH1A1 3235/4885GAA 3793/4885

“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.