SCHEMBL17401375

SCHEMBL17401375

Cc1c(Br)c(=O)n2cc(-c3ccccc3)nc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
MBD2 Q9UBB5 1/20 0.43
HPGD P15428 2/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAP2K1 Q02750 1/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17401365 0.74 KDM4E (0.55) ALDH1A1KDM4EHPGDGFER
SCHEMBL9257171 0.71 MBD2 (0.50) ALDH1A1KDM4EMBD2HPGDGFER
SCHEMBL9258018 0.69 MBD2 (0.51) ALDH1A1KDM4EMBD2HPGDGFER
SCHEMBL9268169 0.66 MBD2 (0.66) ALDH1A1KDM4EMBD2HPGDMAPT
SCHEMBL9262702 0.65 MBD2 (0.50) ALDH1A1KDM4EMBD2HPGDMAPT
SCHEMBL17401374 0.64 ENPP2 (0.66)
SCHEMBL9425611 0.64 DCTPP1 (0.38) ALDH1A1KDM4ERAB9ANPC1POLB
SCHEMBL14081515 0.64 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL17401371 0.63 ENPP2 (0.59)
SCHEMBL10463539 0.63 HSD17B10 (0.41) ALDH1A1KDM4EHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 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-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP ALDH1A1 4353/4885KDM4E 2935/4885MBD2 3047/4885

“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.