SCHEMBL15907285

SCHEMBL15907285

COc1ncncc1NC(=O)c1cc(C#N)cc(C#Cc2nnc3c(C(=O)O)cccn23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 7/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TEK Q02763 4/20 0.34
ALB P02768 1/20 0.34
EPHB6 O15197 1/20 0.33

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
SCHEMBL15907282 0.90 CHEK1 (0.38) MEN1ALDH1A1LMNAHPGDHTT
SCHEMBL15907292 0.87 GPR6 (0.38) GPR6JAK2JAK1TYK2JAK3
SCHEMBL15907281 0.84 KIT (0.44) DDR1DDR2CHEK1PIM1MAPK8
SCHEMBL18323140 0.83 CHEK1 (0.36) MEN1ALDH1A1LMNAHPGDHTT
SCHEMBL15907268 0.79 CSF1R (0.37) GPR6JAK2JAK1TYK2JAK3
SCHEMBL15907284 0.78 MAP3K5 (0.32)
SCHEMBL15907240 0.75 NPC1 (0.42) MEN1ALDH1A1HPGDKMT2ACYP1A2
SCHEMBL15907287 0.75 HTT (0.41) MEN1ALDH1A1HTTKMT2AKDR
SCHEMBL15907280 0.75 DHODH (0.42) JAK2MEN1LMNAKMT2ATEK
SCHEMBL15907175 0.74 PDE4A (0.39) GPR6

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-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 GPR6 983/4885JAK2 54/4885JAK1 40/4885

“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.