SCHEMBL4178005

SCHEMBL4178005

COc1ccc(Nc2nnc(-c3cccnc3C(N)c3cccnc3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ACVR1 Q04771 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.34
PTK6 Q13882 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL4186196 0.90 TUBB4A (0.42) MAPTKDRKMT2ARAB9ADYRK1A
SCHEMBL4173385 0.86 ALDH1A1 (0.41) MAPTPOLBKDM4ERAB9A
SCHEMBL4181134 0.86 KDM4E (0.44) MAPTKMT2AKDM4E
SCHEMBL4180853 0.80 KCNA5 (0.40) AURKAKDM4EDYRK1A
SCHEMBL4170892 0.80 TUBB4A (0.42) MAPTKDRKMT2A
SCHEMBL4181712 0.80 FYN (0.42) MAPTKDRKDM4ERAB9A
SCHEMBL4172618 0.78 KCNA5 (0.48) MAPTAURKAKDM4ERAB9ADYRK1A
SCHEMBL4178015 0.75 CYP3A4 (0.47) MAPTKMT2AKDM4ERAB9A
SCHEMBL4175489 0.74 NPY5R (0.47) MAPTKMT2AKDM4ERAB9A
SCHEMBL4177009 0.72 TUBB4A (0.53) MAPTKMT2AKDM4ERAB9ADYRK1A

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 3 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
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 MAPT 3261/4885ACVR1 3275/4885PDE10A 3174/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MAPT 3261/4885ACVR1 3275/4885PDE10A 3174/4885

“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.