SCHEMBL920398

SCHEMBL920398

CNc1ccccc1.c1ccn2ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RET P07949 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CDK8 P49336 2/20 0.38
ROCK1 Q13464 2/20 0.38
DYRK1A Q13627 2/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAP4K2 Q12851 1/20 0.38
AURKB Q96GD4 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TRIM33 Q9UPN9 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
JAK2 O60674 1/20 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
SCHEMBL7883 0.83
SCHEMBL268000 0.83
Water SCHEMBL6703860 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
Hydrochloric Acid SCHEMBL30557265 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
SCHEMBL31249062 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
Hydrochloric Acid SCHEMBL18952247 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
SCHEMBL19463910 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
SCHEMBL30084676 0.81 ADORA3 (0.45) NPC1RAB9ACDK8ROCK1DYRK1A
Acetic Acid SCHEMBL27812459 0.79 PTGS1 (0.46) RETNPC1RAB9ACDK8ROCK1
SCHEMBL16212292 0.77 SUV39H2 (0.39) DYRK1AKDRPIK3CAKEAP1

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 5 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

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 TSHR 2505/4885RET 2825/4885NPC1 4015/4885
US-20140341812-A1 BETA-AMYLOID PET IMAGING AGENTS APP, BACE1, PSEN1 TSHR 2505/4885RET 2825/4885NPC1 4015/4885

“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.