SCHEMBL5447194

SCHEMBL5447194

CCc1cc(C)nc(NC2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.49
DNM2 P50570 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ATM Q13315 2/20 0.38
USP2 O75604 1/20 0.36
LRRK2 Q5S007 1/20 0.36
IDH2 P48735 1/20 0.35
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 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
SCHEMBL17308551 0.85 DNM2 (0.36) MAPK1DNM2PTGS2KDM4EATM
SCHEMBL16220909 0.78 MAPK1 (0.58) MAPK1LRRK2MAPK8MAPK9MAPK10
SCHEMBL2369879 0.73 DNM2 (0.49) DNM2PTGS2KDM4EATMUSP2
SCHEMBL1179534 0.72 KDM4E (0.44) MAPK1DNM2PTGS2KDM4EATM
SCHEMBL22573058 0.71 MAPK1 (0.41) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15830033 0.71 MAPK1 (0.62) MAPK1LRRK2MAPK8MAPK9MAPK10
SCHEMBL13034557 0.70 NPC1 (0.41) MAPK1DNM2KDM4ELMNASMN1; SMN2
SCHEMBL31051062 0.70 NPC1 (0.41) MAPK1DNM2KDM4ELMNASMN1; SMN2
SCHEMBL17826551 0.69 MAPK1 (0.43) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL17308604 0.69 MAPK1 (0.43) MAPK1KDM4ELRRK2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ASTRAZENECA AB (SE) 2007-11-08 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-20070259849-A1 Azine-Carboxamides as Anti-Cancer Agents ARAF, BRAF, RAF1 MAPK1 443/4885DNM2 2885/4885HDAC3 2006/4885

“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.