SCHEMBL9105877

SCHEMBL9105877

CCn1c(C)c(C(=O)O)c2nccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 2/20 0.42
KDM4E B2RXH2 2/20 0.39
VDR P11473 1/20 0.37
TP53 P04637 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 3/20 0.35
RAD52 P43351 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL9107544 0.81 GAA (0.41) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL21816259 0.68 DPP4 (0.45) MEN1KMT2AKDM4EKDM5AKDM4C
SCHEMBL7660371 0.67 DPP4 (0.41) MEN1KMT2AKDM4EKDM5AKDM4C
SCHEMBL27158579 0.66 ALDH1A1 (0.52) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL12817477 0.66 KDM5A (0.44) KDM4EKDM5AKDM4CSMN1; SMN2ALDH1A1
SCHEMBL311734 0.65 SMN1; SMN2 (0.43) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL518596 0.65 BRD4 (0.46) KDM4ETP53LMNASMN1; SMN2GAA
SCHEMBL27953621 0.64 HCAR3 (0.41) KDM4EGAAALDH1A1MAPT
SCHEMBL31713567 0.63 SMN1; SMN2 (0.48) KDM4EKDM5AKDM4CLMNASMN1; SMN2
SCHEMBL392396 0.63 SMN1; SMN2 (0.48) KDM4EKDM5AKDM4CLMNASMN1; SMN2

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-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MEN1 2045/4885KMT2A 1463/4885ATM 3058/4885

“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.