SCHEMBL5642011

SCHEMBL5642011

CS(=O)(=O)c1nsc(Nc2ccncc2)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.50
JAK2 O60674 1/20 0.41
ILK Q13418 1/20 0.35
MAP4K4 O95819 1/20 0.34
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MAPT P10636 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
POLB P06746 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FLT3 P36888 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL5641494 0.78 NTRK1 (0.64) NTRK1JAK2MAPTPOLBALDH1A1
SCHEMBL5640367 0.75 NTRK1 (0.49) NTRK1JAK2ILKMAP4K4CDK5
SCHEMBL11751351 0.72 NTRK1 (0.46) NTRK1
SCHEMBL5637836 0.69 NTRK1 (0.61) NTRK1JAK2NPC1RAB9A
SCHEMBL5637585 0.69 NTRK1 (0.56) NTRK1JAK2POLB
SCHEMBL5291980 0.68 ILK (0.52) NTRK1JAK2ILKMAPTPOLB
SCHEMBL5641273 0.68 NTRK1 (0.66) NTRK1JAK2ILKNPC1ALDH1A1
SCHEMBL5642992 0.67 NTRK1 (1.00) NTRK1NPC1RAB9A
SCHEMBL5641550 0.66 NTRK1 (0.51) NTRK1
SCHEMBL1579154 0.64 JAK2 (0.53) JAK2MAPTPOLBNPC1ALDH1A1

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-7276602-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC (US) 2007-10-02 US disclosed
EP-1527071-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2005-05-04 EP disclosed
US-20040152691-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC 2004-08-05 US disclosed
WO-2004011461-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2004-02-05 WO 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-20040152691-A1 Isothiazole derivatives useful as anticancer agents TP53, ACIN1, CDKN1A NTRK1 4460/4885JAK2 1478/4885ILK 2974/4885

“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.