SCHEMBL5448462

SCHEMBL5448462

CCc1c(C)nc(N2CCNC(=O)C2)nc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
SCN9A Q15858 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
IKBKB O14920 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
P2RY12 Q9H244 1/20 0.34
AOC3 Q16853 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5450960 0.78 HRH4 (0.42) POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL5462475 0.75 KDM4E (0.40) TSHRHSD17B10KDM4EHCRTR1HCRTR2
SCHEMBL5452827 0.72 NUDT1 (0.47) TSHRMEN1KMT2AHSD17B10POLB
SCHEMBL27680973 0.72 RBP4 (0.47) HSD17B10KDM4E
SCHEMBL31451797 0.68 KDM4E (0.40) POLBSCN9AOPRM1OPRL1KDM4E
SCHEMBL21780754 0.68 OPRM1 (0.48) TSHRHSD17B10POLBSCN9AOPRM1
SCHEMBL6304381 0.67 BAZ2A (0.39) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL16048627 0.66 POLB (0.53) MEN1KMT2APOLBSCN9AOPRM1
SCHEMBL15509230 0.66 OPRM1 (0.46) TSHRHSD17B10POLBSCN9AOPRM1
SCHEMBL19105573 0.65 OPRM1 (0.46) TSHRHSD17B10POLBSCN9AOPRM1

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 TSHR 2637/4885MEN1 486/4885KMT2A 970/4885

“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.