SCHEMBL5264243

SCHEMBL5264243

CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1ccnc(NCCc2ccccn2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
ATM Q13315 1/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
FOS P01100 2/20 0.47
JUN P05412 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
CYP1A2 P05177 4/20 0.46
POLB P06746 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL5913955 0.87 PDE4B (0.51) RAB9AMAPK8JAK3TYRO3
SCHEMBL5316176 0.84 PDE4B (0.44) LMNAMAPK8GAATDP1JAK3
SCHEMBL5264072 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL4183360 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11160276 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL5089195 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL7210767 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11158474 0.74 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11283968 0.74 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11276702 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP claimed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO claimed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US claimed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP ALDH1A1 3019/4885SMN1; SMN2 11/4885MAPT 1/4885

“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.