SCHEMBL15907280

SCHEMBL15907280

Cc1cc(NC(=O)c2cc(C#N)cc(C#Cc3nnc4c(C(=O)O)cccn34)c2)cnc1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.42
SCN10A Q9Y5Y9 3/20 0.38
JAK2 O60674 1/20 0.38
FASN P49327 2/20 0.36
TEK Q02763 1/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPT P10636 2/20 0.35
ADORA2A P29274 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL15907293 0.93 DHODH (0.40) DHODHSCN10AJAK2FASNLRRK2
SCHEMBL15907298 0.81 DHODH (0.38) DHODHSCN10AFASNTEKLRRK2
SCHEMBL18323186 0.81 DHODH (0.38) DHODHSCN10AFASNLRRK2MAPT
SCHEMBL15907170 0.77 SCN10A (0.46) DHODHSCN10AFASNLRRK2MAPT
SCHEMBL15907287 0.76 HTT (0.41) MEN1KMT2A
SCHEMBL18323231 0.75 JAK2 (0.38) DHODHSCN10AJAK2TP53MEN1
SCHEMBL15907285 0.75 GPR6 (0.36) JAK2TEKLMNAMEN1KMT2A
SCHEMBL15907290 0.73 ABL1 (0.46) LRRK2
SCHEMBL18323206 0.72 ABL1 (0.53) LRRK2
SCHEMBL15907292 0.72 GPR6 (0.38) JAK2

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 DHODH 3179/4885SCN10A 2019/4885JAK2 54/4885

“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.