SCHEMBL21243885

SCHEMBL21243885

Cc1ccc2c(cnn2C2CCCCO2)c1C1CCc2c(ncnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.41
KIT P10721 2/20 0.40
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 4/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
ATR Q13535 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL21243943 0.91 KIT (0.37) KRASKITTP53PIK3CAMTOR
SCHEMBL21243930 0.89 MAPT (0.39) KRASMAPTLMNATP53PIK3CA
SCHEMBL30834490 0.89 KRAS (0.52) KRAS
SCHEMBL21733673 0.89 KRAS (0.52) KRAS
SCHEMBL21243863 0.86 KRAS (0.38) KRASMAPTLMNATP53PIK3CA
SCHEMBL30834509 0.86 KRAS (0.41) KRASATR
SCHEMBL21733669 0.86 KRAS (0.41) KRASATR
SCHEMBL25248755 0.85 MAPT (0.36) KRASMAPTLMNATP53PIK3CA
SCHEMBL30305242 0.85 MAPT (0.36) KRASMAPTLMNATP53PIK3CA
SCHEMBL25253665 0.84 GPR119 (0.39) KRASMAPTLMNATP53PIK3CA

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 5 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
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 149/4885KIT 793/4885MAPT 2604/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B KRAS 149/4885KIT 793/4885MAPT 2604/4885

“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.