SCHEMBL21243965

SCHEMBL21243965

Cc1ccc2[nH]ncc2c1C1CCc2c(Cl)ncnc2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.56
TRPV1 Q8NER1 2/20 0.34
ESR1 P03372 6/20 0.33
ESR2 Q92731 6/20 0.33
C5AR1 P21730 2/20 0.33
RPS6KB1 P23443 1/20 0.33
GRM7 Q14831 1/20 0.32
CDK2 P24941 2/20 0.31
FLT3 P36888 2/20 0.31
CCNA1 P78396 2/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL21243868 0.85 KRAS (0.46) KRASTRPV1ESR1ESR2C5AR1
SCHEMBL21243935 0.81 KRAS (0.61) KRASC5AR1RPS6KB1GRM7
SCHEMBL25291151 0.80 KRAS (0.41) KRASTRPV1ESR1ESR2C5AR1
SCHEMBL30305262 0.80 KRAS (0.41) KRASTRPV1ESR1ESR2C5AR1
SCHEMBL21243933 0.79 KRAS (0.56) KRASTRPV1ESR1ESR2C5AR1
SCHEMBL21263722 0.77 GRM7 (0.54) KRASGRM7
SCHEMBL21243920 0.76 KRAS (0.79) KRAS
SCHEMBL21243874 0.76 KRAS (0.79) KRAS
SCHEMBL21243889 0.76 KRAS (0.79) KRAS
SCHEMBL21217828 0.74 TRPV1 (0.42) KRASTRPV1ESR1ESR2C5AR1

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 149/4885TRPV1 4448/4885ESR1 4471/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KRAS 149/4885TRPV1 4448/4885ESR1 4471/4885

“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.