SCHEMBL25835857

SCHEMBL25835857

CCc1ccc(-n2cnnc2C(F)(P)P)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MGLL Q99685 1/20 0.33
GRM1 Q13255 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15B O15296 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL25835846 0.72 MGLL (0.35) PARP15PARP10TNKS2PARP2MGLL
SCHEMBL25835919 0.68 MAPK1 (0.43) PARP15PARP10TNKS2PARP2MGLL
SCHEMBL25835864 0.68 TDP1 (0.38) PARP15PARP10TNKS2PARP2MGLL
SCHEMBL11595644 0.67 SCN5A (0.43) MEN1KMT2ATDP1ALDH1A1
SCHEMBL31754153 0.66 OPRD1 (0.55) ALOX15BCYP1A2CYP3A4GAACYP2D6
SCHEMBL25835889 0.66 SMN1; SMN2 (0.39) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL11593568 0.65 MAPK1 (0.39) MEN1KMT2APTGS1HTTALDH1A1
SCHEMBL14258132 0.65 TP53 (0.40) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL6499444 0.63 QPCT (0.55) MGLLNPC1RAB9AMEN1KMT2A
SCHEMBL23655571 0.60 KDM4E (0.45) NPC1RAB9AMEN1KMT2AKDM4E

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 PARP15 2468/4885PARP10 3208/4885TNKS2 3443/4885

“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.