SCHEMBL16000475

SCHEMBL16000475

CC(C)NC1CCN(C(=O)Cc2cccc3ncccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.49
▸ CHRM1 P11229 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ C3AR1 Q16581 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL16002983 0.89 SYK (0.51) SYKCHRM1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL16000474 0.82 CHRM2 (0.55) SYKALDH1A1
SCHEMBL13826420 0.78 EPHX2 (0.54) SYKKDM4EALDH1A1
SCHEMBL16000488 0.77 SYK (0.49) SYK
SCHEMBL13826657 0.76 MAPK1 (0.56) KDM4EMEN1KMT2AC3AR1ALDH1A1
SCHEMBL13826433 0.76 CHRM2 (0.57) SYK
SCHEMBL13826436 0.75 C3AR1 (0.56) KDM4EC3AR1ALDH1A1
SCHEMBL13825990 0.74 KDM4E (0.60) SYKKDM4EMEN1KMT2AALDH1A1
SCHEMBL13826421 0.74 RBP4 (0.53) SYKKDM4EC3AR1ALDH1A1
SCHEMBL13826434 0.74 SYK (0.46) SYKKDM4EAPOBEC3AAPOBEC3GMEN1

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 SYK 1/4885CHRM1 567/4885KDM4E 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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