SCHEMBL534171

SCHEMBL534171

[c]1ccc(-n2cccn2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NOTUM Q6P988 1/20 0.39
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
MAPK1 P28482 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 2/20 0.35
GRM5 P41594 2/20 0.34
HTT P42858 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL2267386 0.72 KDM4E (0.46) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL27336148 0.72 KDM4E (0.46) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL6482737 0.71 ALDH1A1 (0.48) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL896782 0.70 LMNA (0.45) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL4328742 0.69 ALDH1A1 (0.47) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL2562875 0.68 NOTUM (0.48) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL27497935 0.68 NOTUM (0.49) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL199306 0.67 ALDH1A1 (0.65) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL31519065 0.66 ALDH1A1 (0.63) KDM4EALDH1A1NOTUMLMNAKMT2A
SCHEMBL28812535 0.66 ALDH1A1 (0.63) KDM4EALDH1A1NOTUMLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP 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 (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-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 KDM4E 2804/4885ALDH1A1 256/4885NOTUM 3429/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 KDM4E 3706/4885ALDH1A1 377/4885NOTUM 2988/4885

“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.