SCHEMBL568182

SCHEMBL568182

COC(=O)c1cc(C)nc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL583270 0.88 KDM4E (0.64) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL5204247 0.86 KDM4E (0.61) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL12837985 0.83 KDM4E (0.58) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL15265840 0.82 CA12 (0.53) KDM4EKMT2AMEN1CA12CA1
SCHEMBL30014968 0.81 KDM4E (0.56) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL583987 0.81 ALDH1A1 (0.79) KDM4EALDH1A1KMT2AHPGDCA12
SCHEMBL1620578 0.81 ALDH1A1 (0.79) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL9288795 0.81 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL20488880 0.80 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL20488853 0.80 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
US-20250250264-A1 KIF18A INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-08-07 US disclosed
US-20250223300-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
EP-4559920-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2025-05-28 EP disclosed
US-20250147039-A1 Compounds for complexation of rare earth elements and/or s-, p-, d- block metals, their coordination compounds, peptide conjugates, method of their preparation and use thereof Ustav Organicke Chemie A Biochemie AV CR v.v.i. (CZ) 2025-05-08 US disclosed
CN-119731177-A Tricyclic heterocyclic derivative, composition and application thereof 北京丹擎医药科技有限公司 2025-03-28 CN disclosed
EP-4509505-A1 KIF18A INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-02-19 EP disclosed
US-20250034165-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-01-30 US disclosed
EP-4377308-B1 COMPOUNDS FOR COMPLEXATION OF RARE EARTH ELEMENTS AND/OR S-, P-, D- BLOCK METALS, THEIR COORDINATION COMPOUNDS, PEPTIDE CONJUGATES, METHOD OF THEIR PREPARATION AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-11-20 EP disclosed
EP-4442690-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2024-10-09 EP disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2535/4885ALDH1A1 523/4885KMT2A 2845/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KDM4E 2535/4885ALDH1A1 523/4885KMT2A 2845/4885
US-20250147039-A1 Compounds for complexation of rare earth elements and/or s-, p-, d- block metals, their coordination compounds, peptide conjugates, method of their preparation and use thereof SCLY, CD79B, CSTB KDM4E 4829/4885ALDH1A1 4360/4885KMT2A 4604/4885
US-20250223300-A1 MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF EGFR, ERBB3, ERBB2 KDM4E 2994/4885ALDH1A1 3526/4885KMT2A 3995/4885
US-20250250264-A1 KIF18A INHIBITOR AND USE THEREOF KIF18A, KIF18B, KIF15 KDM4E 1075/4885ALDH1A1 1345/4885KMT2A 141/4885
US-20250034165-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL KRAS, HRAS, VHL KDM4E 4088/4885ALDH1A1 1265/4885KMT2A 3640/4885

“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.