SCHEMBL25754259

SCHEMBL25754259

CC(C)(C)Nc1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.61
CYP2A6 P11509 3/20 0.54
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
PLK1 P53350 1/20 0.53
CCNE2 O96020 2/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP11B2 P19099 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KDR P35968 2/20 0.46

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
SCHEMBL13994042 0.83 CYP2A6 (0.50) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL3794565 0.79 CYP2A6 (0.60) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL2733293 0.79 RAB9A (0.47) KIF11CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL25762442 0.79 KIF11 (0.54) KIF11CYP3A4PLK1CYP2D6KDR
SCHEMBL17194812 0.79 CYP2A6 (0.65) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL29666522 0.79 CYP2A6 (0.65) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL20729480 0.79 CYP2A6 (0.54) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12205824 0.78 IDH2 (0.44) KIF11ALDH1A1CYP1A2PLK1CCNE2
SCHEMBL24534338 0.78 CYP2A6 (0.88) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13907273 0.78 CYP2A6 (0.88) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 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-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 KIF11 2110/4885CYP2A6 3046/4885CYP3A4 4595/4885

“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.