SCHEMBL13825985

SCHEMBL13825985

CC(C)NC1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ USP2 O75604 1/20 0.41
▸ CHRNA7 P36544 3/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40

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
SCHEMBL16003014 0.89 KDM4E (0.50) KDM4EHSD17B10RAB9ANPC1KMT2A
SCHEMBL16000508 0.81 RBP4 (0.57) KDM4EHSD17B10RAB9ANPC1KMT2A
SCHEMBL13826412 0.78 KDM4E (0.52) KDM4EHSD17B10RAB9ANPC1KMT2A
SCHEMBL13826420 0.73 EPHX2 (0.54) KDM4EALDH1A1
SCHEMBL30874956 0.73 HTR1A (0.46) KDM4EHSD17B10RAB9ANPC1TP53
SCHEMBL13825990 0.72 KDM4E (0.60) KDM4EHSD17B10KMT2AHPGDMEN1
SCHEMBL13826452 0.72 HRH3 (0.58) KDM4ERAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13826657 0.72 MAPK1 (0.56) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL16000475 0.71 SYK (0.49) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL13826436 0.71 C3AR1 (0.56) KDM4EALDH1A1

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 KDM4E 1409/4885HSD17B10 4135/4885RAB9A 3957/4885

“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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