SCHEMBL25835919

SCHEMBL25835919

CCc1ccc(-n2cnnc2CNC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
MLLT1 Q03111 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MGLL Q99685 1/20 0.34
TP53 P04637 2/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL25835864 0.78 TDP1 (0.38) MAPK1NPC1RAB9ATDP1APOBEC3G
SCHEMBL25835889 0.76 SMN1; SMN2 (0.39) MAPK1MLLT1NPC1RAB9ATDP1
SCHEMBL23975970 0.72 MAPK1 (0.43) MAPK1MGLLTP53KMT2AALDH1A1
SCHEMBL25835846 0.70 MGLL (0.35) MLLT1NPC1RAB9ATDP1APOBEC3G
SCHEMBL6499444 0.68 QPCT (0.55) NPC1RAB9ATDP1APOBEC3GMGLL
SCHEMBL25835857 0.68 PARP15 (0.35) MLLT1NPC1RAB9ATDP1APOBEC3G
Hydrochloric Acid SCHEMBL11391773 0.67 CYP1A2 (0.51) MAPK1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2848915 0.67 MAPT (0.56) MAPK1TP53KMT2AMEN1ALDH1A1
SCHEMBL17484263 0.66
SCHEMBL14420796 0.64 MAPK1 (0.50) MAPK1KMT2AMEN1ALDH1A1MAPT

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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 MAPK1 2811/4885MLLT1 3720/4885NPC1 1889/4885

“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.