SCHEMBL13825996

SCHEMBL13825996

CC(C)NC1CCN(C(=O)c2cccc3c2Cc2ccccc2-3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ SYK P43405 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TP53BP1 Q12888 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL16002867 0.88 SYK (0.47) POLBSYKKDM4EHTR7HTR2B
SCHEMBL13826070 0.86 POLB (0.67) POLBSYKKDM4EHTR2BTSHR
SCHEMBL13826099 0.79 GLA (0.68) POLBSYKNPC1SMN1; SMN2GLA
SCHEMBL13826416 0.77 ALDH1A1 (0.56) POLBKDM4EL3MBTL1TP53BP1L3MBTL3
SCHEMBL16000501 0.76 TDP1 (0.64) POLBKDM4EHTR2BRAB9AKMT2A
SCHEMBL16000495 0.76 SMYD3 (0.50) POLBSYKL3MBTL1TP53BP1L3MBTL3
SCHEMBL16000518 0.76 HSD11B1 (0.57) POLBSYKL3MBTL1TP53BP1L3MBTL3
SCHEMBL16000509 0.74 HTT (0.66) POLBKDM4ETSHRKMT2A
SCHEMBL16000490 0.74 KMT2A (0.48) POLBSYKTSHRL3MBTL1TP53BP1
SCHEMBL16000476 0.74 KDM4E (0.46) POLBSYKKDM4ETSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145391-B2 Bipyridylaminopyridines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 — — US disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 — — 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 (1 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK POLB 1761/4885SYK 1/4885KDM4E 1409/4885

“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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