SCHEMBL21050825

SCHEMBL21050825

O=C1Nc2cnc3c(F)c(Br)c(Cl)cc3c2N2CCN(C(=O)O)C[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.49
HTR2C P28335 4/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL21050716 0.92 KRAS (0.44) KRASHTR2C
SCHEMBL21050954 0.88 KRAS (0.46) KRASHTR2CALDH1A1KDM4EMEN1
SCHEMBL21099204 0.87 KRAS (0.46) KRASCYP3A4
SCHEMBL30078520 0.84 KRAS (0.40) KRAS
SCHEMBL21050667 0.84 KRAS (0.40) KRAS
SCHEMBL21050959 0.82 KRAS (0.55) KRASHTR2CALDH1A1KDM4EMEN1
SCHEMBL21050723 0.81 KRAS (0.40) KRAS
SCHEMBL21050701 0.81 KRAS (0.60) KRAS
SCHEMBL21050815 0.81 KRAS (0.53) KRASGRIN2B
SCHEMBL21099296 0.79 KRAS (0.40) 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 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 1908/4885ALDH1A1 26/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2C 1908/4885ALDH1A1 26/4885

“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.