SCHEMBL21243869

SCHEMBL21243869

C=CC(=O)N1CCN(c2ncnc3c2CCC(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.62

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
SCHEMBL21243874 0.88 KRAS (0.79) KRAS
SCHEMBL21243889 0.88 KRAS (0.79) KRAS
SCHEMBL21243920 0.88 KRAS (0.79) KRAS
SCHEMBL21263730 0.87 KRAS (0.63) KRAS
SCHEMBL21243941 0.85 KRAS (0.47) KRAS
SCHEMBL21243878 0.79 KRAS (0.72) KRAS
SCHEMBL21733653 0.78 KRAS (0.55) KRAS
SCHEMBL21722262 0.78 KRAS (0.55) KRAS
SCHEMBL21722237 0.78 KRAS (0.55) KRAS
SCHEMBL30178113 0.78 KRAS (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749665-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc. (US) 2020-12-16 EP disclosed
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents PFIZER INC. (US) 2020-03-17 US disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 US disclosed
WO-2019155399-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-15 WO disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 US disclosed
WO-2019155399-A1 TETRAHYDROQUINAZOLINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-15 WO 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-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents TOP2A, TOP1, TOP2B KRAS 149/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KRAS 149/4885

“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.