SCHEMBL12780570

SCHEMBL12780570

[C-]#[N+]CC(CN1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.60
AXL P30530 2/20 0.60
MERTK Q12866 2/20 0.60
JAK2 O60674 16/20 0.41
JAK1 P23458 7/20 0.41
JAK3 P52333 4/20 0.39
TYK2 P29597 3/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DAPK3 O43293 2/20 0.39
PAK4 O96013 2/20 0.39

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
SCHEMBL12780575 0.93 TYRO3 (0.59) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780566 0.93 TYRO3 (0.68) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780581 0.92 TYRO3 (0.57) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780584 0.90 TYRO3 (0.56) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2086147 0.89 TYRO3 (0.72) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780565 0.88 TYRO3 (0.69) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780572 0.87 TYRO3 (0.69) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780568 0.86 TYRO3 (0.65) TYRO3AXLMERTKJAK2JAK1
SCHEMBL12780564 0.85 TYRO3 (0.59) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2087749 0.83 TYRO3 (0.70) TYRO3AXLMERTKJAK2JAK1

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-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TYRO3 107/4885AXL 296/4885MERTK 515/4885

“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.