SCHEMBL523454

SCHEMBL523454

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.65
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B2 P37059 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ HSD11B1 P28845 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL523453 1.00 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL27886063 1.00 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL10195853 1.00 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL14659304 1.00 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL27542616 0.91 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL4716526 0.91 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL4716523 0.91 KMT2A (0.65) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL12414687 0.88 KMT2A (0.64) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL524061 0.85 KMT2A (0.61) KMT2AMAPK1HSD17B2GRM5HSD11B1
SCHEMBL8331016 0.85 KMT2A (0.61) KMT2AMAPK1HSD17B2GRM5HSD11B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 — — CN 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
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 — — US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 — — US disclosed
CN-103827090-A Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INT 2014-05-28 — — CN 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
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 — — 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 (2 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885HSD17B2 552/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885HSD17B2 552/4885

“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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