SCHEMBL16002923

SCHEMBL16002923

CNC1CCN(C(=O)c2cccc3c2oc2ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.48
▸ HRH4 Q9H3N8 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ TP53BP1 Q12888 2/20 0.40
▸ L3MBTL3 Q96JM7 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MBTD1 Q05BQ5 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2C P28335 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
SCHEMBL13826451 0.88 SYK (0.47) SYKNPC1RAB9AHTTALDH1A1
SCHEMBL16002915 0.80 ALDH1A1 (0.57) HTTALDH1A1TSHRPOLBKMT2A
SCHEMBL10293586 0.75 MGLL (0.54) NPC1RAB9AHTTALDH1A1HPGD
SCHEMBL16002957 0.75 CHRM2 (0.52) SYK
SCHEMBL16002961 0.74 RAB9A (0.67) RAB9AALDH1A1POLBKMT2APAK1
SCHEMBL28292405 0.74 HSD11B1 (0.55) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL16002986 0.72 ALDH1A1 (0.47) SYKRAB9AHTTALDH1A1TSHR
SCHEMBL16003041 0.72 HTT (0.65) NPC1HTTALDH1A1TSHRPOLB
SCHEMBL16003045 0.72 TPSAB1 (0.57) RAB9APOLBHTR2C
SCHEMBL29336051 0.72 GFER (0.60) NPC1RAB9AHTTALDH1A1POLB

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 1/4885HRH4 338/4885NPC1 3746/4885

“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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