SCHEMBL22062848

SCHEMBL22062848

CC(C)(C)c1nc(N)cc(C2CC2)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.33
CNR2 P34972 4/20 0.33
NOTUM Q6P988 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
SCHEMBL24784940 0.81 KRAS (0.34) KRASCNR2NOTUM
SCHEMBL29297523 0.79 CNR2 (0.32) CNR2
SCHEMBL25827014 0.77 NOS3 (0.38) KRASCNR2
SCHEMBL25811660 0.77 KRAS (0.33) KRAS
SCHEMBL24785502 0.77 KRAS (0.35) KRAS
SCHEMBL26059013 0.77 BACE1 (0.31)
SCHEMBL18310634 0.76 KLKB1 (0.33)
SCHEMBL21733359 0.75 HSP90AA1 (0.35)
SCHEMBL22062893 0.71 HTR1D (0.37)
SCHEMBL22062963 0.71 NOS3 (0.33) 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
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (4 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885CNR2 3552/4885NOTUM 4604/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS KRAS 3/4885CNR2 1704/4885NOTUM 4193/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS KRAS 1/4885CNR2 3552/4885NOTUM 4604/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS KRAS 1/4885CNR2 3552/4885NOTUM 4604/4885

“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.