SCHEMBL913680

SCHEMBL913680

O=C(O)Nc1cn2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
RAB9A P51151 6/20 0.57
NPC1 O15118 3/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 7/20 0.51
HPGD P15428 1/20 0.51
USP30 Q70CQ3 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 2/20 0.48
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3486577 0.86 KDM4E (0.62) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL2392861 0.82 RAB9A (0.50) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL20798098 0.81 RAB9A (0.49) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL3486348 0.81 MAP3K5 (0.63) RAB9ANPC1MAPTKDM4EHPGD
SCHEMBL3146263 0.79 MAP3K5 (0.47)
SCHEMBL17962528 0.78 PTGS1 (0.50) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL9217808 0.77 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL9217814 0.77 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1CYP1A2
SCHEMBL3485678 0.76 MAP3K5 (0.73) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL1495230 0.76 RAB9A (0.53) PTGS1PTGS2RAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808020-A1 Beta-Amyloid Pet Imaging Agents The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2014-12-03 EP disclosed
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-11-20 US disclosed
EP-2021340-B1 BETA-AMYLOID PET IMAGING AGENTS US GOVERNMENT (US) 2014-07-23 EP disclosed
US-8703096-B2 Beta-amyloid PET imaging agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-04-22 US disclosed
US-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-01-13 US disclosed
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
EP-2021340-A2 BETA-AMYLOID PET IMAGING AGENTS The Government Of The United States, As Represented by The Secretary Of Health And Human Services (US) 2009-02-11 EP disclosed
WO-2007124345-A2 BETA-AMYLOID PET IMAGING AGENTS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-11-01 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 (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-20110008255-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 PTGS1 3539/4885PTGS2 2977/4885RAB9A 3988/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 PTGS1 3539/4885PTGS2 2977/4885RAB9A 3988/4885

“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.