SCHEMBL25835846

SCHEMBL25835846

CCc1ccc(-n2cnnc2C(P)P)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 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
ALOX15B O15296 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL25835857 0.72 PARP15 (0.35) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL25835864 0.70 TDP1 (0.38) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL25835919 0.70 MAPK1 (0.43) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL25835889 0.68 SMN1; SMN2 (0.39) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL31754153 0.68 OPRD1 (0.55) ALOX15BCYP1A2CYP3A4GAACYP2D6
SCHEMBL6499444 0.65 QPCT (0.55) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL29450655 0.62 MAPK1 (0.38) KMT2AMEN1ALDH1A1MAPT
SCHEMBL25442765 0.62 CYP3A4 (0.59) MGLLNPC1RAB9AKMT2AMEN1
SCHEMBL16285368 0.61 HTT (0.46) MGLLNPC1RAB9AKDM4EAPOBEC3G
SCHEMBL2056394 0.60 NOTUM (0.58) KMT2AKDM4EGAATDP1ALDH1A1

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 MGLL 4014/4885NPC1 1889/4885RAB9A 503/4885

“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.