SCHEMBL4304915

SCHEMBL4304915

CC(C)(C)[Si](C)(C)OCc1ccnc(NC(N)=S)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 19/20 0.41
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13323240 0.82 NR3C2 (0.45) NR3C2KMT2A
SCHEMBL7106525 0.81 IGF1R (0.33) NR3C2KMT2A
SCHEMBL4303917 0.80 NPC1 (0.53) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3921965 0.80 IGF1R (0.44) NR3C2KMT2A
SCHEMBL28372044 0.79 MAPK14 (0.48) —
SCHEMBL15940791 0.77 NPC1 (0.39) NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13950725 0.76 RIOK2 (0.49) NR3C2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL331281 0.75 NOS3 (0.51) KMT2A
SCHEMBL31139328 0.75 BACE1 (0.34) —
SCHEMBL6181374 0.74 NR3C2 (0.48) NR3C2ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 — — US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 — — US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
EP-1858893-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-11-28 — — EP disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 — — EP disclosed
WO-2006096338-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-09-14 — — WO disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 — — 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 (2 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 NR3C2 2281/4885ALDH1A1 611/4885KMT2A 519/4885
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 NR3C2 4712/4885ALDH1A1 370/4885KMT2A 1094/4885

“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.

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