SCHEMBL15412918

SCHEMBL15412918

O=C(NCc1ccccc1)c1ccc(Cn2cc(-c3ncnc4[nH]ccc34)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.69
PDGFRB P09619 1/20 0.59
KIT P10721 1/20 0.59
FLT3 P36888 1/20 0.59
MAP3K19 Q56UN5 1/20 0.59
KLKB1 P03952 5/20 0.55
JAK2 O60674 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC1 Q13547 6/20 0.52
JAK1 P23458 2/20 0.51
HDAC3 O15379 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL101502 0.91 BTK (0.64) BTKPDGFRBKITFLT3MAP3K19
SCHEMBL29540632 0.91 BTK (0.64) BTKPDGFRBKITFLT3MAP3K19
SCHEMBL27929234 0.78 JAK2 (0.54) BTKJAK2HDAC6HDAC1JAK1
SCHEMBL100036 0.78 JAK2 (0.55) BTKPDGFRBKITFLT3MAP3K19
SCHEMBL101363 0.78 KMT2A (0.51) BTKKLKB1JAK2HDAC6HDAC1
SCHEMBL29541103 0.78 KMT2A (0.51) BTKKLKB1JAK2HDAC6HDAC1
SCHEMBL102319 0.77 JAK2 (0.47) JAK2HDAC6HDAC1JAK1HDAC3
SCHEMBL99599 0.77 JAK3 (0.54) BTKJAK2HDAC6HDAC1JAK1
SCHEMBL29291554 0.76 BTK (0.80) BTKPDGFRBKITFLT3MAP3K19
SCHEMBL29291560 0.76 BTK (0.80) BTKPDGFRBKITFLT3MAP3K19

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-8933086-B2 Heteroaryl substituted pyrrolo[2,3-B]pyridines and pyrrolo[2,3-B]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 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-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 BTK 64/4885PDGFRB 73/4885KIT 1325/4885

“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.