SCHEMBL21803752

SCHEMBL21803752

CC(=O)c1ccc(Cc2cncc3c2c2ccccc2n3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL21803785 0.85 GABRP (0.46) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24138085 0.84 GABRP (0.43) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL21881944 0.83 BCHE (0.43) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL21803749 0.81 CYP11B1 (0.49) LMNAKMT2AALDH1A1KDM4EHPGD
SCHEMBL21803783 0.80 MAPT (0.49) LMNAKMT2AALDH1A1HPGDGABRP
SCHEMBL21803784 0.80 CYP11B2 (0.40) LMNAKMT2AGABRPGABRDGABRA1
SCHEMBL21803780 0.80 KIF11 (0.47) LMNAALDH1A1HPGDGABRPGABRD
SCHEMBL21881938 0.77 GABRP (0.43) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21803763 0.74 HDAC1 (0.37) ALDH1A1KDM4EHPGDTSHRHDAC6
SCHEMBL21881943 0.74 GABRP (0.43) ALDH1A1KDM4EHPGDGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 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 (3 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-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 LMNA 4608/4885KMT2A 2316/4885ALDH1A1 2714/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS LMNA 4603/4885KMT2A 2314/4885ALDH1A1 2502/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 LMNA 4608/4885KMT2A 2316/4885ALDH1A1 2714/4885

“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.