SCHEMBL823519

SCHEMBL823519

CC(C)c1nnc(Cc2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10249063 0.83 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL12591909 0.81 ALDH1A1 (0.63) GLATSHRKMT2AMEN1ALDH1A1
SCHEMBL12591890 0.80 CYP17A1 (0.43) TSHRKMT2APOLBALDH1A1HPGD
SCHEMBL22841067 0.79 MEN1 (0.37) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL19220545 0.79 ALDH1A1 (0.47) RXFP1KMT2AMEN1POLBALDH1A1
SCHEMBL18541999 0.78 GLA (0.38) RXFP1GLATSHRKMT2AMEN1
SCHEMBL16018756 0.78 IDO1 (0.39) RXFP1GLATSHRKMT2AMEN1
SCHEMBL12188089 0.77 ALDH1A1 (0.45) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL14140247 0.77 RAB9A (0.54) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL19220546 0.75 GLA (0.35) RXFP1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2018-07-03 US disclosed
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-10 US disclosed
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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 (5 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-10011613-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 RXFP1 4798/4885GLA 2034/4885TSHR 4574/4885
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RXFP1 3746/4885GLA 1756/4885TSHR 4293/4885
US-20170226128-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 RXFP1 4798/4885GLA 2034/4885TSHR 4574/4885
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 RXFP1 4798/4885GLA 2034/4885TSHR 4574/4885
US-10202404-B2 Polycyclic pyridone derivative having integrase inhibitory activity TYMP, CDK6, IMPA1 RXFP1 4798/4885GLA 2034/4885TSHR 4574/4885

“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.