SCHEMBL5637585

SCHEMBL5637585

NC(=O)c1c(SC2CCCCC2)nsc1Nc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 15/20 0.56
EPHX1 P07099 1/20 0.37
JAK2 O60674 1/20 0.37
ICAM1 P05362 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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 0.80 NTRK1 (0.64) NTRK1JAK2POLB
SCHEMBL3091765 0.75 NTRK1 (0.61) NTRK1ICAM1TSHR
SCHEMBL5641550 0.75 NTRK1 (0.51) NTRK1
SCHEMBL3096241 0.73 NTRK1 (0.47) NTRK1TSHR
SCHEMBL5641273 0.72 NTRK1 (0.66) NTRK1JAK2
SCHEMBL5640340 0.72 NTRK1 (1.00) NTRK1JAK2POLB
SCHEMBL5637836 0.71 NTRK1 (0.61) NTRK1JAK2MAPK1
SCHEMBL5642992 0.71 NTRK1 (1.00) NTRK1
SCHEMBL5641759 0.70 NTRK1 (1.00) NTRK1JAK2TSHR
SCHEMBL5642011 0.69 NTRK1 (0.50) NTRK1JAK2POLB

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 2 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
US-20040152691-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC 2004-08-05 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-20040152691-A1 Isothiazole derivatives useful as anticancer agents TP53, ACIN1, CDKN1A NTRK1 4460/4885EPHX1 2832/4885JAK2 1478/4885

“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.