SCHEMBL565646

SCHEMBL565646

Cc1ccncc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43
HSD17B1 P14061 1/20 0.39
KDM4C Q9H3R0 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPBAR1 Q8TDU6 7/20 0.36
TACR1 P25103 1/20 0.36
SLC22A12 Q96S37 5/20 0.35
NOTUM Q6P988 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
SCHEMBL1041865 0.88 TDP1 (0.39) TDP1SIRT3KDM4CKDM4EMEN1
SCHEMBL4072497 0.81 KDM4C (0.34) TDP1KDM4CKDM4EMEN1KDM6B
SCHEMBL15846690 0.79 HSD17B1 (0.50) TDP1SIRT3HSD17B1KDM4CKDM4E
SCHEMBL25427837 0.79 SMN1; SMN2 (0.39) KDM4CKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4065895 0.78 KDM4C (0.34) TDP1KDM4CKDM4EMEN1KDM6B
Acetic Acid SCHEMBL16021009 0.77 KDM4C (0.32) TDP1KDM4CKDM4EMEN1KDM6B
SCHEMBL6005339 0.77 TRPM8 (0.46) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL3831425 0.74 CHRM5 (0.41) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL11768389 0.72 LMNA (0.36) ALDH1A1
SCHEMBL7414597 0.72 LMNA (0.39) TDP1HSD17B1MEN1ALDH1A1MAPT

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 TDP1 2688/4885SIRT3 2171/4885HSD17B1 3297/4885

“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.