SCHEMBL1708836

SCHEMBL1708836

BCc1nc2ccccc2c(=O)n1CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 1/20 0.57
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PTK2B Q14289 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL14363850 0.87 KDM4E (0.60) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL1161180 0.84 LMNA (0.68) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL8347824 0.79 MEN1 (0.68) KDM4EMAPK1RAB9ALMNAGAA
SCHEMBL9670265 0.78 KDM4E (0.60) KDM4EMAPK1RAB9ALMNAGAA
SCHEMBL2994370 0.78 KDM4E (0.60) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL15106441 0.75 TSHR (0.54) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL3821434 0.75 TSHR (0.59) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL22854680 0.74 LMNA (0.55) KDM4EMAPK1PDE4APDE4BPDE4C
SCHEMBL32680073 0.74 RAB9A (0.72) KDM4EMAPK1PDE4BRAB9ALMNA
SCHEMBL10921869 0.74 RAB9A (0.72) KDM4EMAPK1PDE4BRAB9ALMNA

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-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 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-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KDM4E 4132/4885MAPK1 523/4885PDE4A 2187/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KDM4E 4132/4885MAPK1 523/4885PDE4A 2187/4885

“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.