SCHEMBL13660642

SCHEMBL13660642

CC(=O)N1CCN(C(=O)C2Cc3ccnc(Cl)c3N2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
SMO Q99835 2/20 0.35
IDE P14735 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
SYK P43405 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL13660643 0.89 DPP4 (0.38) ALDH1A1HPGDIDE
SCHEMBL13660483 0.85 DPP4 (0.37) ALDH1A1HPGDIDE
SCHEMBL13660486 0.66 NAMPT (0.42) HPGD
SCHEMBL21740219 0.65 KMT2A (0.38) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13660641 0.65 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL18448582 0.63 CLK1 (0.47) CLK1MEN1KMT2AATMALDH1A1
SCHEMBL4271934 0.62 HRH4 (0.53)
SCHEMBL6180952 0.62 KMT2A (0.53) CLK1MEN1KMT2AATMALDH1A1
SCHEMBL13660480 0.62 NOS3 (0.34)
SCHEMBL21739722 0.61 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1FNTA

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-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 CLK1 1405/4885MEN1 2705/4885KMT2A 1114/4885

“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.