SCHEMBL24622720

SCHEMBL24622720

Cc1cccc2ccn(Cc3ccc4cc[nH]c4c3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
BACE1 P56817 3/20 0.40
FAAH O00519 1/20 0.38
NLRP3 Q96P20 3/20 0.37
P2RX7 Q99572 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
DBH P09172 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
NOTUM Q6P988 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL14403228 0.76 ADRA2A (0.51) ADRA2AADRA2BADRA2CP2RX7MEN1
SCHEMBL6085911 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CP2RX7DBH
SCHEMBL27934703 0.74 APP (0.52) ADRA2AADRA2BADRA2CP2RX7NOTUM
SCHEMBL6085685 0.74 ADRA2A (0.49) ADRA2AADRA2BADRA2CP2RX7DBH
SCHEMBL13852172 0.70 PTGER4 (0.47) ADRA2AADRA2BADRA2CPTGER4PTGER2
SCHEMBL11081014 0.67 ADRA2A (0.50) ADRA2AADRA2BADRA2CP2RX7
SCHEMBL4828688 0.66 ADRA2A (0.47) ADRA2AADRA2BADRA2CP2RX7
SCHEMBL12543028 0.65 P2RX7 (0.47) ADRA2AADRA2BADRA2CP2RX7MEN1
SCHEMBL31271 0.65 AHR (0.50) BACE1NLRP3MEN1POLBMAPK1
SCHEMBL18926970 0.64 HRH3 (0.55) FAAHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-07-14 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-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF RET, BRAF, RAF1 ADRA2A 3222/4885ADRA2B 2248/4885ADRA2C 2639/4885

“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.