SCHEMBL5043795

SCHEMBL5043795

CN(C)C=Cc1ncc(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
TRPM5 Q9NZQ8 2/20 0.30

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
SCHEMBL5043794 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL2901458 0.69
Ammonia Solution, Strong SCHEMBL29102789 0.67
SCHEMBL24641125 0.64
SCHEMBL8445879 0.64
SCHEMBL15671498 0.64 RIOK2 (0.37) ALDH1A1MAPTPOLB
SCHEMBL28392395 0.64 XPO1 (0.36) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL2669058 0.60
SCHEMBL8317599 0.59
SCHEMBL21725287 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 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-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 ALDH1A1 2984/4885KDM4E 2745/4885GAA 1328/4885

“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.