SCHEMBL16000476

SCHEMBL16000476

CC(C)NC1CCN(C(=O)c2ccccc2N2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 0.45
▸ HDAC5 Q9UQL6 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ TP53BP1 Q12888 1/20 0.43
▸ L3MBTL3 Q96JM7 1/20 0.43

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
SCHEMBL13826432 0.88 KDM4E (0.47) KDM4EKMT2AL3MBTL1TSHRSMN1; SMN2
SCHEMBL16000501 0.78 TDP1 (0.64) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL16000490 0.76 KMT2A (0.48) KMT2AL3MBTL1TSHRSMN1; SMN2SYK
SCHEMBL13826416 0.76 ALDH1A1 (0.56) KDM4EKMT2AL3MBTL1ALDH1A1TP53BP1
SCHEMBL16000509 0.76 HTT (0.66) KDM4EKMT2ATSHRALDH1A1POLB
SCHEMBL16000518 0.75 HSD11B1 (0.57) KMT2AL3MBTL1SYKALDH1A1TP53BP1
SCHEMBL18390527 0.74 HTT (0.55) KMT2AL3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL5565534 0.74 L3MBTL1 (0.55) KDM4EKMT2AL3MBTL1TSHRSMN1; SMN2
SCHEMBL13825996 0.74 POLB (0.48) KDM4EKMT2AL3MBTL1TSHRSMN1; SMN2
SCHEMBL13826070 0.74 POLB (0.67) KDM4EKMT2AL3MBTL1TSHRSMN1; SMN2

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 2 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

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 1409/4885KMT2A 2649/4885L3MBTL1 3948/4885

“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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