SCHEMBL16003004

SCHEMBL16003004

CNC1CCN(C(=O)c2cccc3c2-c2ccccc2C3)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.67
▸ HCRTR1 O43613 2/20 0.54
▸ HCRTR2 O43614 2/20 0.54
▸ SYK P43405 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TP53BP1 Q12888 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
SCHEMBL13826070 0.88 POLB (0.67) POLBHCRTR1HCRTR2SYKKDM4E
SCHEMBL16002867 0.85 SYK (0.47) POLBHCRTR1HCRTR2SYKKDM4E
SCHEMBL16002955 0.81 GLA (0.66) POLBHCRTR1HCRTR2SYKKDM4E
SCHEMBL10293586 0.76 MGLL (0.54) POLBKDM4EHTR2BSMN1; SMN2L3MBTL1
SCHEMBL16002915 0.76 ALDH1A1 (0.57) POLBKDM4ETSHRALDH1A1LMNA
SCHEMBL16002961 0.75 RAB9A (0.67) POLBKDM4EHTR2BALDH1A1TP53
SCHEMBL28292405 0.75 HSD11B1 (0.55) POLBHTR2BL3MBTL1ALDH1A1KMT2A
SCHEMBL16002990 0.75 SMYD3 (0.52) POLBSYKL3MBTL1KMT2ATDP1
SCHEMBL13825996 0.74 POLB (0.48) POLBHCRTR1HCRTR2SYKKDM4E
SCHEMBL16002986 0.73 ALDH1A1 (0.47) POLBSYKHTR2BSMN1; SMN2L3MBTL1

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 POLB 1761/4885HCRTR1 4159/4885HCRTR2 4064/4885

“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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