Phosphoric Acid

Phosphoric Acid

SCHEMBL2086172

N#CCC(CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O

nearest known ligand 0.80

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 17/20 0.60
JAK1 known ✓ P23458 9/20 0.54
JAK3 known ✓ P52333 3/20 0.54
TYK2 known ✓ P29597 2/20 0.54
KIT known ✓ P10721 1/20 0.47
FGFR1 known ✓ P11362 1/20 0.47
TYRO3 Q06418 2/20 0.80
AXL P30530 2/20 0.69
MERTK Q12866 2/20 0.69
DAPK3 O43293 2/20 0.47
PAK4 O96013 2/20 0.47
ABL1 P00519 2/20 0.47
RET P07949 2/20 0.47
LTK P29376 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CLK2 P49760 2/20 0.47
TNK2 Q07912 2/20 0.47
ROCK1 Q13464 2/20 0.47
DYRK1A Q13627 2/20 0.47
IKBKE Q14164 2/20 0.47

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
SCHEMBL1498856 0.97 TYRO3 (0.84) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2085187 0.92 TYRO3 (0.77) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499190 0.90 TYRO3 (0.84) TYRO3AXLMERTKJAK2JAK1
SCHEMBL2088067 0.90 TYRO3 (0.75) TYRO3AXLMERTKJAK2JAK1
SCHEMBL16517737 0.89 TYRO3 (1.00) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499168 0.89 TYRO3 (1.00) TYRO3AXLMERTKJAK2JAK1
SCHEMBL16517808 0.89 TYRO3 (1.00) TYRO3AXLMERTKJAK2JAK1
Phosphoric Acid SCHEMBL2087750 0.87 TYRO3 (0.77) TYRO3AXLMERTKJAK2JAK1
SCHEMBL1499384 0.86 TYRO3 (0.79) TYRO3AXLMERTKJAK2JAK1
Trifluoroacetic Acid SCHEMBL1498923 0.86 TYRO3 (0.92) 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 JAK2 3/4885JAK1 2/4885JAK3 1/4885

“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.