SCHEMBL16120106

SCHEMBL16120106

N#Cc1ccc2c(c1)c1c(C(N)=O)cccc1n2CCCF

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PARP1 P09874 2/20 0.36
▸ RORC P51449 3/20 0.36
▸ HTR3A P46098 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ SCARB1 Q8WTV0 1/20 0.35
▸ PLA2G10 O15496 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL16120099 0.90 NOTUM (0.38) RORCHTR3ASCARB1CNR2
SCHEMBL17461831 0.89 MAP2K2 (0.37) JAK2JAK1TYK2JAK3PARP1
SCHEMBL17461861 0.86 HTR3A (0.39) RORCHTR3ASCARB1KDM4E
SCHEMBL16120079 0.81 NPC1 (0.45) NPC1CNR2
SCHEMBL17461845 0.79 NPC1 (0.43) JAK2JAK1TYK2JAK3NPC1
SCHEMBL16099363 0.77 PTGER4 (0.46) RORCSCARB1CNR2
SCHEMBL7054203 0.74 ADRA1D (0.49) JAK2JAK1JAK3RORCADRA1D
SCHEMBL16120031 0.72 CHEK1 (0.34) PARP1NPC1KDM4E
SCHEMBL16093815 0.69 NPC1 (0.54) RORCNPC1CNR2KDM4E
SCHEMBL27506447 0.69 ADRA1D (0.44) JAK2JAK1JAK3ADRA1DMAPK8

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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT JAK2 1075/4885JAK1 1656/4885TYK2 1743/4885

“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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