SCHEMBL4123029

SCHEMBL4123029

CC(F)(F)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 5/20 0.40
PDK2 Q15119 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
PLCG1 P19174 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL29559374 1.00 CA2 (0.50) CA2CA1CA5ACA9HSD11B1
SCHEMBL3710504 0.85 CA2 (0.50) CA2CA1CA5ACA9HSD11B1
SCHEMBL15974408 0.81 CA2 (0.47) CA2CA1CA5ACA9HSD11B1
SCHEMBL21497368 0.81 ALDH1A1 (0.43) CA2CA1CA5ACA9HSD11B1
SCHEMBL2030240 0.79 CA2 (0.37) CA2CA1CA5ACA9HSD11B1
SCHEMBL29656443 0.79 CA2 (0.37) CA2CA1CA5ACA9HSD11B1
SCHEMBL363301 0.79 CA1 (0.54) CA2CA1CA5ACA9HSD11B1
SCHEMBL292047 0.79 ALDH1A1 (0.50) CA2CA1CA5ACA9HSD11B1
SCHEMBL5080120 0.79 ALDH1A1 (0.43) CA2CA1CA5ACA9HSD11B1
SCHEMBL9275642 0.79 ALDH1A1 (0.43) CA2CA1CA5ACA9HSD11B1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4545515-A1 BCL-2 INHIBITORS BeiGene Switzerland GmbH (CH) 2025-04-30 EP disclosed
US-20240376104-A1 Bcl-2 Inhibitors BEIGENE LTD. (KY) 2024-11-14 US disclosed
US-12077536-B2 BCL-2 inhibitors BEIGENE, LTD. (KY) 2024-09-03 US disclosed
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
EP-3962909-B1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO KG (DE) 2023-10-04 EP disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-11420968-B2 Bcl-2 inhibitors BEIGENE, LTD. (KY) 2022-08-23 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2006064336-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (9 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R CA2 4213/4885CA1 4686/4885CA5A 760/4885
US-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 CA2 2436/4885CA1 2547/4885CA5A 1111/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 CA2 4808/4885CA1 4679/4885CA5A 3304/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CA2 545/4885CA1 2163/4885CA5A 265/4885
US-11420968-B2 Bcl-2 inhibitors BCL2, BCL2L1, BCL2L2 CA2 2436/4885CA1 2547/4885CA5A 1111/4885
US-12077536-B2 BCL-2 inhibitors BCL2, BCL2L1, BCL2L2 CA2 2436/4885CA1 2547/4885CA5A 1111/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA2 4808/4885CA1 4679/4885CA5A 3304/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA2 4808/4885CA1 4679/4885CA5A 3304/4885
US-20240376104-A1 Bcl-2 Inhibitors BCL2, BCL2L1, BCL2L2 CA2 2436/4885CA1 2547/4885CA5A 1111/4885

“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.