SCHEMBL944788

SCHEMBL944788

NC(=O)c1cccc2cnoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
MAP4K4 O95819 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
LTK P29376 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1A1 P48729 1/20 0.47
PRKX P51817 1/20 0.47
CDK5 Q00535 1/20 0.47
MAP2K1 Q02750 1/20 0.47
MST1R Q04912 1/20 0.47
PTK2 Q05397 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL944352 0.72 BCAT2 (0.48) CSF1RKDRKDM4EALDH1A1LCK
SCHEMBL2003887 0.71 ALDH1A1 (0.44) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL6968338 0.71 CYP3A4 (0.39) KDM4EALDH1A1GAAPDPK1NPC1
SCHEMBL10367732 0.71 KDM4E (0.39) KDM4EALDH1A1LCKHPGDTSHR
SCHEMBL5535329 0.71 MAPK14 (0.35)
SCHEMBL3792765 0.70 KDM4E (0.46) PLK4CHEK1AURKADAPK3MAP4K4
Hydrochloric Acid SCHEMBL28191751 0.69 KDM4E (0.44) PLK4CHEK1AURKADAPK3MAP4K4
Water SCHEMBL27300807 0.69 KDM4E (0.44) PLK4CHEK1AURKADAPK3MAP4K4
Hydrochloric Acid SCHEMBL29384863 0.69 KDM4E (0.44) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL6393245 0.69 LDHA (0.38) PARP1KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872128-B2 Benzisoxazole and isoxazolo-pyridine compounds and method of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 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-20080227779-A1 Heterocyclic compounds and methods of use KIT, TPSG1, CMA1 PLK4 2839/4885CHEK1 705/4885AURKA 716/4885

“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.