SCHEMBL533393

SCHEMBL533393

Fc1ccnc(-c2cc[c]cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
CYP2C9 P11712 2/20 0.32
TP53 P04637 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
SCHEMBL2639364 0.79 KMT2A (0.45) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28305796 0.79 NPC1 (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL534270 0.76 MEN1 (0.40) MEN1KMT2ANPC1RAB9AATM
SCHEMBL533483 0.76 MEN1 (0.40) MEN1KMT2ANPC1RAB9AATM
SCHEMBL533189 0.76 HDAC4 (0.47) TRPV3
SCHEMBL533167 0.73 CLK4 (0.46) NPC1RAB9ACYP1A2CYP3A4LMNA
SCHEMBL534163 0.72 ROCK1 (0.33) MEN1KMT2ANPC1RAB9AATM
SCHEMBL533615 0.72 NPC1 (0.41) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL533236 0.72 TRPV3 (0.39) MEN1KMT2ACYP1A2POLBTRPV3
SCHEMBL28507447 0.72 KDM4E (0.36) MEN1KMT2ANPC1RAB9AATM

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 7 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-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 (3 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 MEN1 4120/4885KMT2A 723/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MEN1 4385/4885KMT2A 820/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MEN1 1413/4885KMT2A 3385/4885NPC1 1105/4885

“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.