SCHEMBL15729935

SCHEMBL15729935

CCOC(=O)c1c(C)nc(Br)n1Cc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 2/20 0.53
RAB9A P51151 2/20 0.53
HCRTR1 O43613 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.44
CDC25B P30305 3/20 0.44
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL23421379 0.82 TSHR (0.52) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL15729936 0.80 ALDH1A1 (0.48) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL15730018 0.78 TLR7 (0.47) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL15730009 0.76 GABRA2 (0.42) MAPTSMN1; SMN2MAPK1ALOX15KMT2A
SCHEMBL6842436 0.75 CDC25B (0.57) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL3405737 0.75 MAPK1 (0.59) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL15729958 0.75 ALDH1A1 (0.42) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL21822412 0.73 NOD2 (0.54) MAPTSMN1; SMN2MAPK1RAB9AKMT2A
SCHEMBL3606815 0.73 MAPT (0.46) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1
SCHEMBL8277735 0.72 KMT2A (0.44) MAPTSMN1; SMN2MAPK1RAB9AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
WO-2014077285-A1 PYRIDINE DERIVATIVE 帝人ファーマ株式会社 (JP) 2014-05-22 WO 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 (2 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-20150284358-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 MAPT 451/4885SMN1; SMN2 3031/4885MAPK1 444/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 MAPT 451/4885SMN1; SMN2 3031/4885MAPK1 444/4885

“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.