SCHEMBL21243918

SCHEMBL21243918

Cc1ccc2c(cnn2C2CCCCO2)c1C1CCc2c(nc[nH]c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.41
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KRAS P01116 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PDE9A O76083 1/20 0.31
ATR Q13535 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
SCHEMBL30834498 0.86 CYP4F2 (0.35) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL21733780 0.86 CYP4F2 (0.35) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL21722146 0.85 KRAS (0.35) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL21259508 0.81 GRM7 (0.40) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL30834509 0.81 KRAS (0.41) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL21733669 0.81 KRAS (0.41) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL25248904 0.80 GRM7 (0.40) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL21243899 0.80 GRM7 (0.40) GRM7CYP4F2CYP4A11RXRARXRB
SCHEMBL24854593 0.80 GRM7 (0.43) GRM7KRASALDH1A1
SCHEMBL25257057 0.78 GRM7 (0.36) GRM7CYP4F2CYP4A11RXRARXRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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
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

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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS GRM7 2937/4885CYP4F2 813/4885CYP4A11 1657/4885
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents TOP2A, TOP1, TOP2B GRM7 3149/4885CYP4F2 579/4885CYP4A11 1687/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B GRM7 3149/4885CYP4F2 579/4885CYP4A11 1687/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS GRM7 2937/4885CYP4F2 813/4885CYP4A11 1657/4885

“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.