SCHEMBL8999938

SCHEMBL8999938

COC(=O)c1cc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5[nH]c(C(=O)OC)cc5c4)n3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.53
PTK2 Q05397 8/20 0.52
CDK4 P11802 1/20 0.52
AURKA O14965 1/20 0.52
EGFR P00533 5/20 0.52
BTK Q06187 3/20 0.52
SYK P43405 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PTK2B Q14289 1/20 0.49

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
SCHEMBL10245604 0.86 SYK (0.53) CDK1AURKAEGFRSYKGSK3A
SCHEMBL656260 0.80 SYK (0.63) AURKASYK
SCHEMBL3839986 0.78 SYK (0.57) CDK1AURKAEGFRSYKGSK3A
SCHEMBL655405 0.77 MMP13 (0.57) SYK
SCHEMBL13911531 0.74 SYK (0.41) CDK1AURKAEGFRSYK
SCHEMBL13153576 0.74 SYK (0.41) CDK1AURKAEGFRSYK
SCHEMBL656550 0.73 SYK (0.57) CDK1AURKAEGFRBTKSYK
SCHEMBL656169 0.71 SYK (0.64) AURKASYK
SCHEMBL16236301 0.71 HRH4 (0.57)
SCHEMBL11987615 0.70 PTK2 (0.61) PTK2GSK3AGSK3BPTK2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188276-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-8188276-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. 2009-07-02 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-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A CDK1 1205/4885PTK2 312/4885CDK4 1183/4885

“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.