SCHEMBL533593

SCHEMBL533593

[c]1ccnc(-c2nccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.39
ADORA2A P29274 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.35
CYP2A6 P11509 1/20 0.35
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
PKM P14618 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA1 P30542 2/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL4695390 0.75
SCHEMBL556950 0.73 PDPK1 (0.54) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL16369869 0.71 PDPK1 (0.38) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL7668400 0.69 PDPK1 (0.46) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL184122 0.69 CYP2A6 (0.30) CYP2A6
SCHEMBL17701190 0.68 PDPK1 (0.43) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL12470936 0.67 IDH1 (0.39)
SCHEMBL31556353 0.67 PDPK1 (0.56) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1
SCHEMBL30632310 0.67 PDPK1 (0.56) PDPK1ADORA2ALOXL2CYP2A6HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105051019-B Compound, electron transport material, and organic electroluminescent element using the electron transport material 捷恩智株式会社 2018-06-12 CN disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-105051019-A Electron transport material and organic electroluminescent element using the same JNC CORP 2015-11-11 CN disclosed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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 (4 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PDPK1 2833/4885ADORA2A 26/4885LOXL2 395/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PDPK1 2670/4885ADORA2A 23/4885LOXL2 390/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 PDPK1 3995/4885ADORA2A 905/4885LOXL2 2018/4885
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 PDPK1 4680/4885ADORA2A 3352/4885LOXL2 1698/4885

“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.