SCHEMBL4912787

SCHEMBL4912787

CS(=O)(=O)Nc1cccc(Nc2nc(NCc3cccc(S(C)(=O)=O)c3)c3nc[nH]c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.51
PDE5A O76074 3/20 0.45
ULK1 O75385 2/20 0.45
PTK2B Q14289 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK7 P50613 1/20 0.45
NTRK1 P04629 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4916374 0.91 PDE5A (0.50) PTK2PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL4919702 0.89 PDE5A (0.42) PTK2PDE5ACDK1CCNB1CYP1A2
SCHEMBL4909992 0.89 PDE5A (0.43) PTK2PDE5ANTRK1CYP1A2CYP3A4
SCHEMBL4914819 0.89 PDE5A (0.44) PTK2PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL4917738 0.88 MAPT (0.46) PTK2PDE5ACDK1ALDH1A1TSHR
SCHEMBL4917319 0.88 PTK2 (0.45) PTK2PDE5APTK2BNTRK1
SCHEMBL4920844 0.87 CYP1A2 (0.55) PTK2PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL4917306 0.87 PTK2 (0.48) PTK2PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL4910563 0.87 PTK2 (0.45) PTK2PDE5AULK1PTK2BCDK1
SCHEMBL4918965 0.87 PTK2 (0.50) PTK2PDE5ACDK1CYP3A4

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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK PTK2 1036/4885PDE5A 1383/4885ULK1 1943/4885

“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.