SCHEMBL21243891

SCHEMBL21243891

Cc1ccc2c(cnn2C2CCCCO2)c1[C@@H]1Cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C[C@H]1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.39
KRAS P01116 3/20 0.39
TLR9 Q9NR96 4/20 0.37
TLR7 Q9NYK1 2/20 0.37
TP53 P04637 4/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21243885 0.83 KRAS (0.41) KITKRASTP53LMNAMAPT
SCHEMBL21722284 0.77 KRAS (0.65) KRAS
SCHEMBL21722422 0.76 KRAS (0.60) KRAS
SCHEMBL28501194 0.76 KRAS (0.44) KITKRAS
SCHEMBL21733504 0.76 KRAS (0.48) KITKRAS
SCHEMBL21722212 0.76 KRAS (0.40) KITKRASTP53LMNAMAPT
SCHEMBL21243943 0.76 KIT (0.37) KITKRASTP53THRB
SCHEMBL21733530 0.75 KRAS (0.39) KITKRAS
SCHEMBL21196109 0.75 KIT (0.42) KITKRASTP53ACHELMNA
SCHEMBL21722208 0.74 KRAS (0.48) 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-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

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 KIT 793/4885KRAS 149/4885TLR9 4826/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KIT 793/4885KRAS 149/4885TLR9 4826/4885

“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.