SCHEMBL691433

SCHEMBL691433

CCOCc1cc(N)n(CC)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL691267 0.86 ADORA2B (0.42) ADORA2AADORA2BP2RX7ALDH1A1TSHR
SCHEMBL690635 0.83 ADORA2A (0.40) ADORA2AADORA2BALDH1A1POLBLMNA
SCHEMBL12126163 0.79 ADORA2A (0.36) ADORA2AADORA2BP2RX7ALDH1A1LMNA
SCHEMBL11691084 0.78 ADORA2A (0.45) ADORA2AADORA2BPOLBNPC1RAB9A
SCHEMBL691266 0.77 ABL1 (0.33) P2RX7
SCHEMBL1292978 0.75 ADORA2A (0.42) ADORA2AADORA2BALDH1A1TSHRMAPK1
SCHEMBL1292982 0.72 ADORA2A (0.40) ADORA2AADORA2BPOLB
SCHEMBL692968 0.72 ADORA2A (0.40) ADORA2AADORA2BPOLB
SCHEMBL583517 0.70
SCHEMBL691703 0.69 MAPT (0.42) ADORA2AADORA2BALDH1A1TSHRMAPK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-9012479-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2015-04-21 US disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 US disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 US disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN ADORA2A 2175/4885ADORA2B 2248/4885P2RX7 1097/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN ADORA2A 2175/4885ADORA2B 2248/4885P2RX7 1097/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN ADORA2A 2175/4885ADORA2B 2248/4885P2RX7 1097/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN ADORA2A 2175/4885ADORA2B 2248/4885P2RX7 1097/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN ADORA2A 2175/4885ADORA2B 2248/4885P2RX7 1097/4885

“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.