SCHEMBL4173263

SCHEMBL4173263

C1=C(N(Cc2ccccc2)c2nnc(-c3ccccc3NCc3ccncc3)[nH]2)OCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.40
ADRA2C P18825 2/20 0.38
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
FLT1 P17948 9/20 0.34
ABCB1 P08183 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4170614 0.88 KDR (0.43) KDRKDM4EABCB1
SCHEMBL4178551 0.87 KDR (0.36) KDRKDM4CFLT1
SCHEMBL4181413 0.82 QPCT (0.33) KDR
SCHEMBL4174895 0.82 KDR (0.48) KDRFLT1
SCHEMBL4181723 0.80 CYP1A2 (0.42) KDRKDM4EHTTSMN1; SMN2NPSR1
SCHEMBL4173399 0.80 KDR (0.49) KDRADRA2CKDM4EKDM6BKDM4A
SCHEMBL4174196 0.79 KDM4E (0.37) KDRKDM4EKDM4C
SCHEMBL4180846 0.76 TUBB4A (0.43) KDRKDM4E
SCHEMBL4181336 0.76 TUBB4A (0.40) KDRADRA2CKDM4EHTTSMN1; SMN2
SCHEMBL4181696 0.75 MEN1 (0.37) KDM4EABCB1HTT

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 KDR 3284/4885ADRA2C 3817/4885KDM4E 2144/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885ADRA2C 3817/4885KDM4E 2144/4885

“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.