SCHEMBL21881935

SCHEMBL21881935

Cc1cccc2c3c(Cc4ccccc4)cncc3n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.48
FTO Q9C0B1 1/20 0.48
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
RAB9A P51151 1/20 0.39
HRH1 P35367 1/20 0.37
SLC5A2 P31639 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36

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 0.83 GABRP (0.46) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL21803726 0.80 ALKBH5 (0.54) ALKBH5FTOMAPTKDM4EATM
SCHEMBL21881937 0.78 BCHE (0.43) MAPTKDM4EMEN1KMT2AHRH1
SCHEMBL24138085 0.77 GABRP (0.43) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL21881938 0.76 GABRP (0.43) ALKBH5FTOMAPTKDM4EGABRA1
SCHEMBL21803758 0.75 ALKBH5 (0.45) ALKBH5FTOMAPTKDM4EGABRA1
SCHEMBL21881944 0.74 BCHE (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL21881929 0.71 KDM4E (0.47) KDM4EATMNPC1RAB9AALDH1A1
SCHEMBL21803779 0.71 CYP19A1 (0.56) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL24138084 0.71 KIF11 (0.47) MAPTMEN1KMT2AGABRA1GABRA5

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 3 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-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

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 ALKBH5 1353/4885FTO 768/4885MAPT 3633/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS ALKBH5 1470/4885FTO 1118/4885MAPT 3538/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 ALKBH5 1353/4885FTO 768/4885MAPT 3633/4885

“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.