SCHEMBL4173387

SCHEMBL4173387

COc1cccc(-c2nnc(-c3cccnc3NCc3ccco3)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.49
ALOX15 P16050 4/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 8/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
IDE P14735 1/20 0.46
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43

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
SCHEMBL4171994 0.85 MAPT (0.48) HSD17B10ALOX15MAPK1LMNAKDM4E
SCHEMBL4167692 0.84 CLK4 (0.50) HSD17B10ALOX15MAPK1LMNATSHR
SCHEMBL4182606 0.83 CYP1A2 (0.52) HSD17B10ALOX15MAPK1LMNATSHR
SCHEMBL4177023 0.83 KDR (0.52) HSD17B10ALOX15MAPK1LMNAKDM4E
SCHEMBL4172627 0.82 CYP1A2 (0.66) HSD17B10ALOX15MAPK1LMNATSHR
SCHEMBL4168506 0.80 CLK4 (0.46) HSD17B10ALOX15MAPK1LMNATSHR
SCHEMBL4174282 0.79 CLK4 (0.57) HSD17B10ALOX15KDM4EALDH1A1MAPT
SCHEMBL4176801 0.78 EED (0.52) HSD17B10MAPK1LMNAKDM4ETSHR
SCHEMBL4179290 0.76 CYP1A2 (0.44) HSD17B10ALOX15MAPK1LMNATSHR
SCHEMBL4181068 0.75 TUBB4A (0.49) HSD17B10ALOX15MAPK1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL HSD17B10 1779/4885ALOX15 1359/4885MAPK1 2495/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HSD17B10 1779/4885ALOX15 1359/4885MAPK1 2495/4885

“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.