SCHEMBL568400

SCHEMBL568400

CCC(O)c1ccc(Br)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ESR1 P03372 4/20 0.34
ESR2 Q92731 3/20 0.34
FDFT1 P37268 1/20 0.34
PGR P06401 2/20 0.33
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL568345 0.85 CYP11B1 (0.34) LMNAESR1ESR2FDFT1
SCHEMBL2902063 0.82 TSHR (0.36) FDFT1CYP3A4ALOX15TDP1TAAR1
SCHEMBL2901571 0.80 CYP26A1 (0.32) FDFT1NFKB1
SCHEMBL1508436 0.79 FFAR1 (0.32) FDFT1
SCHEMBL12352043 0.78 LMNA (0.47) LMNAESR1ESR2PGRCYP1A2
SCHEMBL21016278 0.78 ALDH1A1 (0.39) LMNACYP1A2CYP2D6MAPTCYP2C9
SCHEMBL20342450 0.78 LMNA (0.47) LMNAESR1ESR2PGRCYP1A2
SCHEMBL16762977 0.78 LMNA (0.42) LMNAMAPTNFKB1
SCHEMBL1241173 0.78 FDFT1 (0.37) LMNAFDFT1
SCHEMBL29480695 0.78 FDFT1 (0.37) LMNAFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
CN-108794452-B Compound with kinase inhibition activity, preparation method and application thereof 上海时莱生物技术有限公司 2021-05-28 CN disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
EP-3620456-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF Selection Bioscience LLC (CN) 2020-03-11 EP disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 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 (7 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 LMNA 4848/4885ESR1 3807/4885ESR2 1185/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4848/4885ESR1 3807/4885ESR2 1185/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 LMNA 4663/4885ESR1 3617/4885ESR2 1297/4885
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 LMNA 1901/4885ESR1 1812/4885ESR2 3536/4885
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 LMNA 4663/4885ESR1 3617/4885ESR2 1297/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4838/4885ESR1 3759/4885ESR2 1215/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 LMNA 1901/4885ESR1 1812/4885ESR2 3536/4885

“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.