SCHEMBL4938486

SCHEMBL4938486

COC(=O)c1ccnc(C(=O)NC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.57
KDM4E B2RXH2 3/20 0.49
KDM6B O15054 2/20 0.49
KDM5C P41229 2/20 0.49
KDM4C Q9H3R0 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 3/20 0.44
CD38 P28907 2/20 0.44
KDR P35968 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
JMJD6 Q6NYC1 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
CFTR P13569 1/20 0.41

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
SCHEMBL245480 0.87 SMYD3 (0.59) SMYD3KDM4EALOX15L3MBTL1GRM5
SCHEMBL21572840 0.80 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70350 0.80 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30065796 0.80 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL19615775 0.79 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9561243 0.79 NPC1 (0.55) L3MBTL1GRM5KDRCYP2C19RAB9A
SCHEMBL16047520 0.78 MAPK1 (0.64) KDM4EL3MBTL1HPGDS
SCHEMBL29831193 0.78 SMYD3 (0.55) SMYD3GRM5RAB9A
SCHEMBL475565 0.77 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30378954 0.77 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A

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
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
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP 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 (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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 SMYD3 379/4885KDM4E 975/4885KDM6B 1624/4885

“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.