SCHEMBL31194908

SCHEMBL31194908

CNc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.47

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
SCHEMBL29418819 0.86 KRAS (0.48) KRAS
SCHEMBL30704160 0.86 KRAS (0.48) KRAS
SCHEMBL29418796 0.84 KRAS (0.47) KRAS
SCHEMBL29680145 0.82 KRAS (0.51) KRAS
SCHEMBL30391087 0.82 KRAS (0.47) KRAS
SCHEMBL30391732 0.82 KRAS (0.47) KRAS
SCHEMBL30391045 0.82 KRAS (0.47) KRAS
SCHEMBL30704205 0.81 KRAS (0.54) KRAS
Hydrochloric Acid SCHEMBL30391165 0.81 KRAS (0.46) KRAS
SCHEMBL30704185 0.79 KRAS (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376128-A1 N-CYCLOPROPYLPYRIDO [4, 3-D] PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-11-14 — — 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 (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-20240376128-A1 N-CYCLOPROPYLPYRIDO [4, 3-D] PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF CYP4A11, CYP4B1, DHPS KRAS 880/4885

“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.

Send feedback