SCHEMBL21243950

SCHEMBL21243950

Cc1ccc2[nH]ncc2c1C1CCc2c(ncnc2N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.57
PIK3CD O00329 3/20 0.38
ACACB O00763 6/20 0.36
GPR119 Q8TDV5 1/20 0.36
KIT P10721 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL21243878 0.87 KRAS (0.72) KRAS
SCHEMBL21243933 0.84 KRAS (0.56) KRAS
SCHEMBL21243874 0.79 KRAS (0.79) KRAS
SCHEMBL21243920 0.79 KRAS (0.79) KRAS
SCHEMBL21243889 0.79 KRAS (0.79) KRAS
SCHEMBL21243893 0.78 KRAS (0.51) KRASPIK3CDKITDDB1CRBN
SCHEMBL21243935 0.78 KRAS (0.61) KRAS
SCHEMBL21733502 0.74 KRAS (0.63) KRAS
SCHEMBL21243926 0.74 KRAS (0.75) KRAS
SCHEMBL21243965 0.73 KRAS (0.56) 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 4 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

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 149/4885PIK3CD 692/4885ACACB 4054/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KRAS 149/4885PIK3CD 692/4885ACACB 4054/4885

“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.