SCHEMBL18088604

SCHEMBL18088604

CCC[C@@H](C)n1cc(-c2ccnc3c2ccn3N)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.41
JAK1 P23458 8/20 0.41
TYK2 P29597 8/20 0.41
JAK3 P52333 8/20 0.41
ACHE P22303 3/20 0.37
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL18088603 1.00 JAK2 (0.41) JAK2JAK1TYK2JAK3ACHE
SCHEMBL99248 0.78 JAK2 (0.35) JAK2JAK1TYK2JAK3ACHE
SCHEMBL100267 0.76 AURKB (0.60) JAK2JAK1TYK2JAK3AURKA
SCHEMBL99168 0.76 AURKB (0.60) JAK2JAK1TYK2JAK3AURKA
SCHEMBL100113 0.76 AURKB (0.60) JAK2JAK1TYK2JAK3AURKA
SCHEMBL15970035 0.73 CHUK (0.34) JAK2JAK1TYK2JAK3ACHE
SCHEMBL4088916 0.72 JAK2 (0.36) JAK2JAK1TYK2JAK3ACHE
SCHEMBL2184103 0.72 JAK2 (0.35) JAK2JAK1TYK2JAK3ACHE
SCHEMBL13678289 0.70 ACHE (0.39) JAK2JAK1TYK2JAK3ACHE
SCHEMBL101210 0.69 JAK2 (0.33) JAK2JAK1TYK2JAK3

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-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 US disclosed
US-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-09-22 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-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885TYK2 4/4885

“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.