SCHEMBL17308779

SCHEMBL17308779

CCc1c(Cl)ccc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 2/20 0.34
DAPK3 O43293 2/20 0.34
PRKD3 O94806 2/20 0.34
MAP4K4 O95819 2/20 0.34
RET P07949 2/20 0.34
IGF1R P08069 2/20 0.34
PIM1 P11309 2/20 0.34
CLK2 P49760 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
PRKX P51817 2/20 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
SCHEMBL6436498 0.80 ALDH1A1 (0.47) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL24338045 0.80 ALDH1A1 (0.47) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL6976279 0.79 DPP4 (0.46) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL23589102 0.79 ALDH1A1 (0.46) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL7348964 0.76 DPP4 (0.42) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL4535246 0.75 DPP4 (0.44) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL15209574 0.75 ALDH1A1 (0.43) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL17307154 0.73 DPP4 (0.40) DPP4DPP8ALDH1A1PKMLMNA
SCHEMBL7031180 0.72 KMT2A (0.42) DPP4DPP8ALDH1A1PKMKDM4E
SCHEMBL20975555 0.72 MAPT (0.43) DPP4DPP8ALDH1A1PKMKDM4E

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-9394257-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 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-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM DPP4 547/4885DPP8 632/4885ALDH1A1 2333/4885

“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.