SCHEMBL4181696

SCHEMBL4181696

COc1cc(CNc2cc(C(F)(F)F)ccc2-c2nnc(N(Cc3ccccc3)C3=COCO3)[nH]2)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.34
ACP1 P24666 1/20 0.34
ABCB1 P08183 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CETP P11597 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
HIF1A Q16665 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30

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
SCHEMBL4178551 0.88 KDR (0.36)
SCHEMBL4174196 0.86 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL4173263 0.75 KDR (0.40) ABCB1KDM4EHTT
SCHEMBL4181133 0.74 TUBB4A (0.44) MEN1KMT2AALDH1A1HTT
SCHEMBL4181693 0.71 FYN (0.41) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4181413 0.71 QPCT (0.33)
SCHEMBL4174895 0.71 KDR (0.48)
SCHEMBL4163261 0.70 MEN1 (0.49) MEN1KMT2AMITFACP1ABCB1
SCHEMBL4180846 0.68 TUBB4A (0.43) KDM4EALDH1A1
SCHEMBL4170614 0.68 KDR (0.43) ABCB1KDM4EALDH1A1TDP1HIF1A

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-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

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 MEN1 543/4885KMT2A 2240/4885MITF 332/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MEN1 543/4885KMT2A 2240/4885MITF 332/4885

“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.