SCHEMBL1016001

SCHEMBL1016001

O=c1[nH]c2cccc(Br)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ PARP1 P09874 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ AHR P35869 1/20 0.42
▸ CCNE2 O96020 2/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CAMK2B Q13554 2/20 0.41
▸ CAMK2G Q13555 2/20 0.41
▸ CAMK2D Q13557 2/20 0.41
▸ CAMK2A Q9UQM7 2/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ PDE3B Q13370 1/20 0.40

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
SCHEMBL25173200 0.83 GRIN2D (0.52) CA12CA9PARP1KDM4EAHR
SCHEMBL31638993 0.76 IDH1 (0.52) CA12CA9PARP1KDM4EIDH1
SCHEMBL11385706 0.76 KDM4E (0.43) CA12CA9PARP1KDM4EPDE3B
SCHEMBL763349 0.76 GRIA1 (0.52) CA12CA9PARP1KDM4EAHR
SCHEMBL2731038 0.75 PARP1 (0.48) CA12CA9PARP1KDM4ECCNE2
SCHEMBL1502649 0.75 FEN1 (0.50) CA12CA9PARP1KDM4EAHR
SCHEMBL30013511 0.75 FEN1 (0.50) CA12CA9PARP1KDM4EAHR
SCHEMBL6367421 0.74 KDM4E (0.42) CA12CA9PARP1KDM4EPDE3B
SCHEMBL2483323 0.74 POLB (0.52) CA12CA9PARP1KDM4EPDE3B
SCHEMBL22619216 0.74 KDM4E (0.42) CA12CA9PARP1KDM4EPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608988-A1 CLOSED-LOOP OPTIMIZATION OF GENERAL REACTION CONDITIONS FOR HETEROARYL SUZUKI-MIYAURA COUPLING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-09-03 — — EP disclosed
WO-2024243025-A1 NAPHTHYL-SUBSTITUTED PYRIDO[4,3-D]PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2024-11-28 — — WO disclosed
WO-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 — — WO disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 — — WO disclosed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 — — CN disclosed
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 — — US disclosed
WO-2021237111-A1 NOTCH INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. (US) 2021-11-25 — — WO disclosed
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA AB (SE) 2020-04-09 — — US disclosed
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 — — US disclosed
US-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 — — US disclosed
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 — — US disclosed
EP-3215512-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2017-09-13 — — EP disclosed
WO-2016073407-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-12 — — WO disclosed
WO-2016073407-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-12 — — WO disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 — — US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 — — WO disclosed
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 — — EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 — — US disclosed
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 — — WO disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 — — 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 (6 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-10174052-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands CHRNA7, CHRNA5, CHRNA2 CA12 2644/4885CA9 2566/4885PARP1 3112/4885
US-20200109153-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS CA12 4783/4885CA9 4177/4885PARP1 3784/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS CA12 4752/4885CA9 4221/4885PARP1 3896/4885
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF CA12 4755/4885CA9 3223/4885PARP1 1664/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 CA12 3735/4885CA9 2807/4885PARP1 805/4885
US-20170305929-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 CA12 2312/4885CA9 2419/4885PARP1 3304/4885

“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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