SCHEMBL2086927

SCHEMBL2086927

CCC(CN1CCN(C(=O)c2ccc(O)cc2Cl)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.61
AXL P30530 2/20 0.59
MERTK Q12866 2/20 0.59
JAK2 O60674 14/20 0.45
JAK1 P23458 8/20 0.45
HDAC3 O15379 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43

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
SCHEMBL1499278 0.91 TYRO3 (0.71) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499396 0.88 TYRO3 (0.70) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1498982 0.86 TYRO3 (0.60) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499175 0.86 TYRO3 (0.72) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499237 0.84 TYRO3 (0.66) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2086865 0.83 TYRO3 (0.64) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499032 0.83 TYRO3 (0.62) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2086610 0.83 TYRO3 (0.64) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2084512 0.83 TYRO3 (0.78) TYRO3AXLMERTKJAK2JAK1
SCHEMBL18054734 0.83 TYRO3 (0.87) 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 8 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 claimed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US claimed
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-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-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
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
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.