SCHEMBL18083003

SCHEMBL18083003

Cc1ccc2nccnc2c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.49
ADRA2C P18825 10/20 0.49
ADRA2B P18089 9/20 0.49
ADRA1D P25100 8/20 0.49
ADRA1A P35348 7/20 0.49
ADRA1B P35368 6/20 0.49
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL29463681 0.78 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL30335572 0.78 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL87693 0.78 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL8085425 0.77 ADRA2A (0.47) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL28520045 0.77 ADRA2A (0.52) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL30716827 0.75 MAPT (0.48) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL31330119 0.74 ADRA2A (0.49) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL180196 0.74 ADRA2A (0.53) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL22026140 0.74 ADRA2A (0.41) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL22977483 0.74 ADRA2A (0.49) ADRA2AADRA2CADRA2BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US disclosed
WO-2022221071-A1 ALPHA2 ADRENERGIC AGONIST CODRUGS CONJUGATED WITH MUSCARINIC AGONIST DRUGS ADS THERAPEUTICS LLC (US) 2022-10-20 WO disclosed
US-9434701-B2 Aminoquinoxaline derivatives for treatment of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-06 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 (1 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-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 ADRA2A 4681/4885ADRA2C 4280/4885ADRA2B 4370/4885

“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.