SCHEMBL25895358

SCHEMBL25895358

COc1cc(C)ccc1CN=C=NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 3/20 0.35
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL25912978 0.85 APLNR (0.47) MAPTTSHRALDH1A1CYP3A4MEN1
SCHEMBL23341677 0.80 IDO1 (0.42) MAPTL3MBTL1GAALMNAALDH1A1
SCHEMBL25895319 0.77 ACHE (0.34) ACHEMAPT
SCHEMBL23342609 0.72 CA12 (0.34) ACHEMAPTMAPK1LMNAALDH1A1
SCHEMBL23341679 0.71 CA12 (0.32) ALDH1A1
SCHEMBL25895352 0.71 C3AR1 (0.36) ACHETDP1ALDH1A1CYP3A4HPGD
SCHEMBL6126086 0.71 ACHE (0.52) ACHEMAPTL3MBTL1GAAMAPK1
SCHEMBL25895329 0.71 MIF (0.31)
SCHEMBL18971181 0.70 ACHE (0.47) ACHEMAPTL3MBTL1GAAMAPK1
SCHEMBL8231646 0.70 ACHE (0.56) ACHEMAPTL3MBTL1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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 (2 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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS ACHE 4629/4885MAPT 3764/4885L3MBTL1 3587/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ACHE 4820/4885MAPT 3227/4885L3MBTL1 1005/4885

“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.