SCHEMBL4518931

SCHEMBL4518931

CN(CCO)c1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAP4K4 O95819 2/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 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
SCHEMBL23634062 0.89 NOS2 (0.45) MAP4K4NOS3NOS2GABRPGABRD
SCHEMBL10256427 0.84 HRH3 (0.46) MAP4K4NOS3NOS2GABRPGABRD
SCHEMBL15650364 0.79 NOS3 (0.43) POLBMAP4K4NOS3NOS2L3MBTL1
SCHEMBL2793198 0.79 BRAF (0.39) NOS3NOS2SYK
SCHEMBL29475465 0.79 NOS3 (0.37) MAP4K4NOS3NOS2L3MBTL1GABRP
SCHEMBL20332702 0.79 NOS3 (0.37) MAP4K4NOS3NOS2L3MBTL1GABRP
SCHEMBL30585768 0.79 BRAF (0.39) NOS3NOS2SYK
SCHEMBL20878635 0.79 GABRP (0.38) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL7992753 0.79 POLB (0.42) POLBMAP4K4L3MBTL1MAPTEGFR
SCHEMBL23634061 0.77 KEAP1 (0.41) NOS2MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885MAP4K4 186/4885NOS3 1955/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 2133/4885MAP4K4 191/4885NOS3 1854/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 POLB 2260/4885MAP4K4 943/4885NOS3 181/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK POLB 3335/4885MAP4K4 186/4885NOS3 1955/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885MAP4K4 169/4885NOS3 1832/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK POLB 3175/4885MAP4K4 169/4885NOS3 1832/4885

“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.