SCHEMBL21050806

SCHEMBL21050806

O=C1Nc2cnc3c(F)c(-c4c(O)cccc4F)c(Cl)cc3c2N2CCNC[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.54
HTR2C P28335 12/20 0.46
EGFR P00533 1/20 0.44
HMOX2 P30519 1/20 0.44
CRYZ Q08257 1/20 0.44
VAT1 Q99536 1/20 0.44
RTN4 Q9NQC3 1/20 0.44
HTR2A P28223 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 2/20 0.40

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
SCHEMBL21050885 0.87 KRAS (0.52) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050710 0.85 KRAS (0.76) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050647 0.84 KRAS (0.72) KRASHTR2CEGFRHMOX2CRYZ
SCHEMBL21050919 0.84 KRAS (0.72) KRASHTR2CEGFRHMOX2CRYZ
SCHEMBL21099341 0.84 KRAS (0.58) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050696 0.80 KRAS (0.61) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050643 0.80 KRAS (0.69) KRASHTR2CEGFRHMOX2CRYZ
SCHEMBL21050771 0.78 KRAS (0.64) KRASHTR2CEGFRHMOX2CRYZ
SCHEMBL21050705 0.77 KRAS (0.62) KRASHTR2CEGFRHMOX2CRYZ
SCHEMBL21050934 0.76 KRAS (0.61) KRASHTR2CEGFRHMOX2CRYZ

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-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

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 1908/4885EGFR 568/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2C 1908/4885EGFR 568/4885

“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.