SCHEMBL4666141

SCHEMBL4666141

O=S(=O)(Nc1ccc(Nc2cc(-c3cccc4ccccc34)ncn2)cc1)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 6/20 0.49
PGR P06401 2/20 0.47
BRD4 O60885 1/20 0.47
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
MAP4K4 O95819 2/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
LRRK2 Q5S007 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALK Q9UM73 1/20 0.45
HSD17B2 P37059 1/20 0.44
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42

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
SCHEMBL4666195 0.88 TNNI3K (0.50) TNNI3KPTPN2PTPN1PTPN5MAP4K4
SCHEMBL4666159 0.85 KMO (0.48) TNNI3KPGRPTPN2PTPN1PTPN5
SCHEMBL4667473 0.84 MEN1 (0.51) TNNI3KMAP4K4CCNT1CDK9CDK1
SCHEMBL4665695 0.83 CYP1A2 (0.47) TNNI3KMAP4K4CCNT1CDK9CDK1
SCHEMBL4666155 0.81 CYP1A2 (0.48) TNNI3KMAP4K4CCNT1CDK9CDK1
SCHEMBL4663833 0.80 CYP1A2 (0.47) PGRPTPN2PTPN1PTPN5MAP4K4
SCHEMBL4665837 0.78 SLC22A12 (0.50) PTPN2PTPN1PTPN5CYP1A2CYP3A4
SCHEMBL4665802 0.78 CYP1A2 (0.50) MAP4K4CCNT1CDK9CDK1CDK4
SCHEMBL11939499 0.76 CDK9 (0.64) TNNI3KMAP4K4CCNT1CDK9CDK1
SCHEMBL15870338 0.75 CCNT1 (0.65) CCNT1CDK9ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors ALTANA PHARMA AG (DE) 2008-10-02 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-20080242681-A1 N-4-(6-(Hetero)Aryl-Pyrimidin-4-Ylaminophenyl)-Benzenesulfonamides as Kinase Inhibitors MAP3K19, MAP3K6, MAP3K20 TNNI3K 25/4885PGR 828/4885BRD4 336/4885

“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.