SCHEMBL13825994

SCHEMBL13825994

Cc1c(C(=O)N2CCC(NC(C)C)CC2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ SYK P43405 1/20 0.46
▸ TLR9 Q9NR96 2/20 0.46
▸ TLR8 Q9NR97 2/20 0.46
▸ TLR7 Q9NYK1 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GLA P06280 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL16002860 0.88 DRD2 (0.51) DRD2DRD3SYKMAOAALDH1A1
SCHEMBL14073995 0.83 DRD2 (0.58) DRD2DRD3MAOAALDH1A1MAPT
SCHEMBL4999621 0.78 KMT2A (0.53) DRD2DRD3MAOAALDH1A1MAPT
SCHEMBL13174669 0.77 AKR1C3 (0.61) DRD2DRD3SYKMAOAALDH1A1
SCHEMBL16000508 0.76 RBP4 (0.57) DRD2DRD3ALDH1A1MAPTTSHR
SCHEMBL13826412 0.76 KDM4E (0.52) SYKALDH1A1MAPTALOX15TSHR
SCHEMBL13825991 0.74 NPC1 (0.70) SYKTLR9TLR8TLR7ALDH1A1
SCHEMBL13826416 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHTT
Hydrochloric Acid SCHEMBL6276058 0.72 EPHX1 (0.66) ALDH1A1KDM4EHPGD
SCHEMBL13825981 0.71 CHRM2 (0.57) SYKALDH1A1MAPTKDM4EGLA

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 DRD2 2870/4885DRD3 3832/4885SYK 1/4885

“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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