SCHEMBL23832157

SCHEMBL23832157

COc1nc2[nH]cnc2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.38
▸ QPCT Q16769 5/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ PDPK1 O15530 1/20 0.35
▸ PTK6 Q13882 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ AMY1A P0DUB6 2/20 0.31
▸ S100A9 P06702 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4302790 0.77 ALDH1A1 (0.43) MMP12CDK1CHEK1PIM1AKT1
SCHEMBL19240443 0.75 NQO2 (0.40) AMY1ANPC1RAB9AKMT2AKDM4E
SCHEMBL20551388 0.74 NPSR1 (0.40) MMP12QPCTSRCNPC1RAB9A
SCHEMBL25349620 0.72 PDPK1 (0.42) MMP12QPCTQPCTLPDPK1PTK6
SCHEMBL25346767 0.70 BRD4 (0.42) S100A9KMT2A
SCHEMBL17450949 0.70 CA2 (0.42) AMY1ACYP1A2CYP2C19ALDH1A1HSD17B10
SCHEMBL22699769 0.70 KDM4E (0.41) MMP12CHEK1PIM1AKT1FLT3
SCHEMBL11314846 0.69 TDP1 (0.40) MMP12CDK1CYP1A2CHEK1PIM1
SCHEMBL25343534 0.68 AXL (0.53) AMY1AS100A9NPC1RAB9AKDM4E
SCHEMBL28798557 0.68 SRC (0.56) PDPK1SRCCYP1A2CHEK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121423-B1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2026-04-29 — — EP disclosed
EP-4121429-B1 CONDENSED PYRIDINE DERIVATIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2025-08-13 — — EP disclosed
CN-115335371-B Tetrazole derivatives 默克专利股份公司 2024-12-27 — — CN disclosed
US-20240382468-A2 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2024-11-21 — — US disclosed
US-20240009175-A9 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2024-01-11 — — US disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
US-20230271956-A1 AMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2023-08-31 — — US disclosed
US-20230149371-A1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-18 — — US disclosed
US-20230149371-A1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-18 — — US disclosed
US-20230149371-A1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-18 — — US disclosed
EP-4121423-A1 TETRAZOLE DERIVATIVES Merck Patent GmbH (DE) 2023-01-25 — — EP disclosed
EP-4121429-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS Merck Patent GmbH (DE) 2023-01-25 — — EP disclosed
CN-115443275-A Condensed pyridine derivatives substituted with amide functions as ACSS2 inhibitors 默克专利股份公司 2022-12-06 — — CN disclosed
CN-115335371-A Tetrazole derivatives 默克专利股份公司 2022-11-11 — — CN disclosed
WO-2021185793-A1 TETRAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2021-09-23 — — WO disclosed
WO-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — 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 (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-20240009175-A9 TETRAZOLE DERIVATIVES VHL, BRCA1, POT1 MMP12 3195/4885QPCT 4372/4885QPCTL 4696/4885
US-20240382468-A2 TETRAZOLE DERIVATIVES VHL, BRCA1, POT1 MMP12 3195/4885QPCT 4372/4885QPCTL 4696/4885
US-20230271956-A1 AMIDE DERIVATIVES BRCA1, HRAS, PCNA MMP12 3172/4885QPCT 2481/4885QPCTL 3188/4885
US-20230149371-A1 TETRAZOLE DERIVATIVES VHL, BRCA1, POT1 MMP12 3195/4885QPCT 4372/4885QPCTL 4696/4885

“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.

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