SCHEMBL25812401

SCHEMBL25812401

CC(C)NC(=O)c1cnn2cc(Br)cc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
USP2 O75604 1/20 0.36
PDE4A P27815 2/20 0.36
KCNH2 Q12809 1/20 0.36
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 3/20 0.35
XDH P47989 2/20 0.34
JAK2 O60674 3/20 0.34
NTRK1 P04629 3/20 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
SCHEMBL23509916 0.85 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL23501292 0.85 GAA (0.40) ALDH1A1HTTMAOAMAOBUSP2
SCHEMBL23501196 0.82 MAPK14 (0.38) ALDH1A1HTTSMN1; SMN2MAPK14
SCHEMBL23501179 0.79 RET (0.44)
SCHEMBL25812427 0.79 AKR1C3 (0.36) ALOX5ALDH1A1SMN1; SMN2
SCHEMBL23501194 0.77 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2JAK2NTRK1
SCHEMBL23501291 0.76 TSHR (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23501139 0.71 IRAK4 (0.41) ALDH1A1NPC1RAB9AMAPK14
SCHEMBL20460550 0.69 HTT (0.54) ALOX5ALDH1A1HTTMAOAMAOB
SCHEMBL24329437 0.69 KMT2A (0.43) ALDH1A1NPC1RAB9AMAPK14

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-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-07-13 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 (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-20230219979-A1 PYRAZOLO[1,5-a]PYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF RET, GRK4, RIN1 ALOX5 2632/4885ALDH1A1 1772/4885HTT 3543/4885

“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.