SCHEMBL523900

SCHEMBL523900

C[C@H](c1ccccc1)N1CC(CO)CC1=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.51
BRD4 O60885 1/20 0.46
GRM5 P41594 1/20 0.41
HSD11B1 P28845 2/20 0.40
HSD17B2 P37059 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL576462 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL8207326 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL27902911 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL5626616 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL576463 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL4529849 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL523899 1.00 KMT2A (0.63) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL9987097 0.90 KMT2A (0.53) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL14405525 0.89 KMT2A (0.60) KMT2AMAPK1BRD4GRM5HSD11B1
SCHEMBL20306298 0.87 KMT2A (0.48) KMT2AMAPK1BRD4HSD11B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003673-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-09-02 CN disclosed
CN-114621219-A Dihydropyrimidine compound, and preparation method and application thereof 上海维申医药有限公司 2022-06-14 CN disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
EP-2736886-B1 SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-09-14 EP disclosed
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 CN disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
US-9199937-B2 Substituted quinolines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
CN-102822172-A Substituted naphthyridines and their use as syk kinase inhibitors BOEHRINGER INGELHEIM INT 2012-12-12 CN disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 US disclosed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US disclosed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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 (5 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-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE Q6ZSR9, MRPL21, ABCC1 KMT2A 1525/4885MAPK1 3073/4885BRD4 165/4885
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885BRD4 114/4885
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN KMT2A 597/4885MAPK1 935/4885BRD4 967/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN KMT2A 597/4885MAPK1 935/4885BRD4 967/4885
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 KMT2A 4257/4885MAPK1 2891/4885BRD4 520/4885

“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.