SCHEMBL4903236

SCHEMBL4903236

CCNC(=O)c1cccc(N/N=C2\C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.39
PTPN11 Q06124 3/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
VCP P55072 1/20 0.36
PDPK1 O15530 1/20 0.36
CA12 O43570 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
SCHEMBL4903245 1.00 HTR2B (0.39) HTR2BPTPN11CDK2KDRTP53
SCHEMBL4900110 0.90 HTR2B (0.41) HTR2BPTPN11CDK2KDRPOLB
SCHEMBL4900103 0.90 HTR2B (0.41) HTR2BPTPN11CDK2KDRPOLB
SCHEMBL4903198 0.90 PTPN11 (0.50) HTR2BPTPN11CDK2KDRTP53
SCHEMBL4904487 0.90 TP53 (0.45) PTPN11TP53TSHRPOLBMAPT
SCHEMBL4904489 0.90 TP53 (0.45) PTPN11TP53TSHRPOLBMAPT
SCHEMBL4903212 0.90 PTPN11 (0.50) HTR2BPTPN11CDK2KDRTP53
SCHEMBL4903293 0.89 LMNA (0.49) HTR2BPTPN11CDK2KDRMAPT
SCHEMBL4903313 0.89 LMNA (0.49) HTR2BPTPN11CDK2KDRMAPT
SCHEMBL4897722 0.89 POLB (0.47) HTR2BPTPN11CDK2KDRPOLB

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
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 HTR2B 2790/4885PTPN11 16/4885CDK2 541/4885

“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.