SCHEMBL21050784

SCHEMBL21050784

COc1c(-c2c(O)cccc2F)c(Cl)cc2c3c(cnc12)OC[C@H]1CNCCN31

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.70
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
EGFR P00533 1/20 0.34
HMOX2 P30519 1/20 0.34
CRYZ Q08257 1/20 0.34
VAT1 Q99536 1/20 0.34
RTN4 Q9NQC3 1/20 0.34
NTRK1 P04629 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL21050713 0.90 KRAS (0.69) KRASHTR2AHTR2CHTR2BEGFR
SCHEMBL21050643 0.90 KRAS (0.69) KRASHTR2AHTR2CHTR2BEGFR
SCHEMBL21050989 0.85 KRAS (0.85) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099627 0.83 KRAS (0.55) KRASHTR2AHTR2CHTR2BNTRK1
SCHEMBL21050829 0.83 KRAS (0.51) KRASHTR2AHTR2CHTR2B
SCHEMBL21050640 0.83 KRAS (1.00) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099283 0.82 KRAS (0.80) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050773 0.81 KRAS (0.69) KRASHTR2AHTR2CHTR2B
SCHEMBL21050744 0.77 KRAS (0.65) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050942 0.76 KRAS (0.66) KRAS

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-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KRAS 272/4885HTR2A 3423/4885HTR2C 1908/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2A 3423/4885HTR2C 1908/4885

“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.