SCHEMBL4213640

SCHEMBL4213640

O=c1[nH]cnc2c1sc1c(C(F)(F)F)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.65
▸ PIM1 P11309 3/20 0.53
▸ CLK4 Q9HAZ1 3/20 0.53
▸ PIM3 Q86V86 2/20 0.53
▸ AURKA O14965 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ RET P07949 2/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ PRKX P51817 2/20 0.46
▸ BTK Q06187 2/20 0.46
▸ TYRO3 Q06418 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ NTRK3 Q16288 2/20 0.46
▸ TAOK1 Q7L7X3 2/20 0.46
▸ ALK Q9UM73 2/20 0.46

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
SCHEMBL1094731 0.79 PARP1 (1.00) PARP1PIM1CLK4PIM3AURKA
SCHEMBL4217004 0.78 PIM1 (0.49) PARP1PIM1CLK4PIM3AURKA
SCHEMBL4207145 0.78 PIM1 (0.64) PARP1PIM1CLK4PIM3AURKA
SCHEMBL4208864 0.73 KRAS (0.51) PARP1PIM1CLK4PIM3AURKA
SCHEMBL25871160 0.73 HDAC3 (0.43) PARP1AXLSMN1; SMN2KDM4EHSD17B10
SCHEMBL4216930 0.72 PIM1 (0.49) PARP1PIM1CLK4PIM3AURKA
SCHEMBL4218616 0.71 PIM1 (0.55) PARP1PIM1CLK4PIM3AURKA
SCHEMBL278692 0.71 CDC7 (0.51) PARP1PIM1CLK4PIM3AURKA
SCHEMBL9984314 0.67 PARP1 (0.77) PARP1PIM1CLK4AURKADAPK3
SCHEMBL17827762 0.67 PARP1 (0.63) PARP1PIM1CLK4PIM3ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 — — US claimed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 — — US disclosed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 — — US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 — — EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 — — EP 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 (2 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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 PARP1 468/4885PIM1 1/4885CLK4 792/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 PARP1 4502/4885PIM1 2325/4885CLK4 1396/4885

“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.

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