SCHEMBL30048852

SCHEMBL30048852

CO/N=C1/CCCc2cc(OC)cc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EGFR P00533 4/20 0.33
XDH P47989 2/20 0.33
MEN1 O00255 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
BCL2 P10415 1/20 0.32
HTR6 P50406 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
SCHEMBL24755438 1.00 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL29181799 1.00 ALDH1A1 (0.35) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL24755442 0.86 KDM4E (0.33) ALDH1A1MAPTKMT2ATDP1KDM4E
SCHEMBL31650059 0.83 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL25642895 0.83 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL31048409 0.83 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1KMT2ATDP1
SCHEMBL24755482 0.76 EGFR (0.41) ALDH1A1KMT2AKDM4EKITPDGFRA
SCHEMBL30049403 0.76 EGFR (0.41) ALDH1A1KMT2AKDM4EKITPDGFRA
SCHEMBL15129412 0.76 HTT (0.35) HTT
SCHEMBL18204519 0.75 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT SHANGHAI KECHOW PHARMA, INC. (CN) 2024-09-12 US disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 WO 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-20240300980-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT KRAS, NRAS, HRAS ALDH1A1 2468/4885MAPT 701/4885MAPK1 53/4885

“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.