SCHEMBL4307516

SCHEMBL4307516

CNC(=O)c1cc(COS(C)(=O)=O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
ADORA1 P30542 7/20 0.44
KDR P35968 3/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT4 P35916 1/20 0.44
ILK Q13418 1/20 0.44
MAP3K20 Q9NYL2 1/20 0.44
CSF1R P07333 3/20 0.41
TYK2 P29597 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
IGF1R P08069 1/20 0.37
RAF1 P04049 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL4941679 0.86 PARP1 (0.46) PARP1ADORA1KITCSF1RLOXL2
SCHEMBL10204398 0.84 ALDH1A1 (0.45) PARP1SMYD3
SCHEMBL1166333 0.84 ALDH1A1 (0.39) PARP1LOXL2SMYD3
SCHEMBL4937449 0.83 LOXL2 (0.46) KITLOXL2
SCHEMBL4941722 0.83 SMYD3 (0.60) PARP1ADORA1KDRKITSMYD3
SCHEMBL4310539 0.83 CYP4F2 (0.46) CSF1RLOXL2SMYD3IGF1R
SCHEMBL13945542 0.82 PARP1 (0.48) PARP1ADORA1KDRPDGFRBKIT
SCHEMBL4944793 0.81 ALDH1A1 (0.38) RAF1
SCHEMBL12256511 0.80 CSF1R (0.47) PARP1ADORA1KDRPDGFRBKIT
SCHEMBL28728220 0.80 GABRA1 (0.43)

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 14 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-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-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
CN-101133054-A 1, 3-thiazole-5-carboxamides useful as cancer chemotherapeutic agents BAYER PHARMACEUTICALS CORP (US) 2008-02-27 CN 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-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006096338-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-09-14 WO disclosed
WO-2006023707-A2 2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 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 PARP1 834/4885ADORA1 101/4885KDR 2408/4885
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 PARP1 184/4885ADORA1 2875/4885KDR 3311/4885

“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.