SCHEMBL21050873

SCHEMBL21050873

CN1C(=O)[C@H]2CNCCN2c2c1cnc1c(F)c(-c3c(O)ccc(F)c3F)c(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.60
HTR2C P28335 12/20 0.34
HTR2A P28223 8/20 0.33
HTR2B P41595 7/20 0.33
EGFR P00533 1/20 0.33
HMOX2 P30519 1/20 0.33
CRYZ Q08257 1/20 0.33
VAT1 Q99536 1/20 0.33
RTN4 Q9NQC3 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
SCHEMBL21050919 0.91 KRAS (0.72) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050647 0.91 KRAS (0.72) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050771 0.90 KRAS (0.64) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050935 0.89 KRAS (0.57) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050705 0.89 KRAS (0.62) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21099353 0.87 KRAS (0.60) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050775 0.84 KRAS (0.59) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050651 0.83 KRAS (0.85) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050934 0.83 KRAS (0.61) KRASHTR2CHTR2AHTR2BEGFR
SCHEMBL21050781 0.81 KRAS (0.59) KRASHTR2CHTR2AHTR2BEGFR

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 272/4885HTR2C 1908/4885HTR2A 3423/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2C 1908/4885HTR2A 3423/4885

“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.