SCHEMBL21733906

SCHEMBL21733906

O=C1C=C(c2cccc3ccccc23)CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
BRD4 O60885 1/20 0.43
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
ALPL P05186 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR1 P47211 1/20 0.39
POLB P06746 1/20 0.39
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL29533046 1.00 PTPN1 (0.44) PTPN1BRD4HTTALDH1A1LMNA
SCHEMBL728537 0.89 PTPN1 (0.46) PTPN1BRD4HTTALDH1A1LMNA
SCHEMBL5743345 0.78 KEAP1 (0.38) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL678414 0.75 ALOX5 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL31678641 0.75 ALDH1A1 (0.39) BRD4ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29656653 0.75 ALDH1A1 (0.43) BRD4ALDH1A1MAPTHSD17B10POLB
SCHEMBL14124657 0.75 GAA (0.43) ALDH1A1MAPTSMN1; SMN2GAAGALR1
SCHEMBL3734647 0.75 ALDH1A1 (0.43) BRD4ALDH1A1MAPTHSD17B10POLB
SCHEMBL11116210 0.75 PTPN1 (0.44) PTPN1BRD4ALDH1A1MAPTKDM4E
SCHEMBL28777035 0.73 GRM2 (0.46) PTPN1BRD4HTTALDH1A1LMNA

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 10 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
CN-114269735-B Dihydro-or tetrahydroquinazoline compound, intermediate thereof, preparation method and application 南京创济生物医药有限公司 2024-02-23 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
CN-114269735-A Dihydro or tetrahydro quinazoline compound and intermediate, preparation method and application thereof 南京创济生物医药有限公司 2022-04-01 CN disclosed
WO-2021037018-A1 DIHYDROQUINAZOLINE OR TETRAHYDROQUINAZOLINE COMPOUND AND INTERMEDIATES, PREPARATION METHODS AND USE THEREOF 南京创济生物医药有限公司 2021-03-04 WO disclosed
WO-2021037018-A1 DIHYDROQUINAZOLINE OR TETRAHYDROQUINAZOLINE COMPOUND AND INTERMEDIATES, PREPARATION METHODS AND USE THEREOF 南京创济生物医药有限公司 2021-03-04 WO disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS PTPN1 3203/4885BRD4 417/4885HTT 3961/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PTPN1 3203/4885BRD4 417/4885HTT 3961/4885

“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.