SCHEMBL3388028

SCHEMBL3388028

NCCCNc1nc(Nc2cccc(C(F)(F)F)c2)ncc1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.59
TBK1 Q9UHD2 4/20 0.54
PDPK1 O15530 1/20 0.54
ZAP70 P43403 2/20 0.52
CAMK1D Q8IU85 1/20 0.52
STK17A Q9UEE5 6/20 0.51
STK17B O94768 2/20 0.51
CHEK1 O14757 5/20 0.51
FLT3 P36888 5/20 0.51
PRKCE Q02156 1/20 0.51
BTK Q06187 1/20 0.51
ITK Q08881 1/20 0.51
CTSC P53634 2/20 0.49
MARK3 P27448 1/20 0.48
MARK4 Q96L34 1/20 0.48

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
SCHEMBL3383882 0.87 TBK1 (0.69) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3386112 0.87 TBK1 (0.56) SYKTBK1PDPK1STK17ASTK17B
Hydrochloric Acid SCHEMBL3388695 0.86 TBK1 (0.68) TBK1PDPK1STK17ASTK17BMARK3
SCHEMBL3388022 0.86 TBK1 (0.54) SYKTBK1PDPK1ZAP70CAMK1D
SCHEMBL3389519 0.85 TBK1 (0.54) SYKTBK1PDPK1STK17ASTK17B
SCHEMBL3389594 0.85 STK17A (0.56) SYKTBK1PDPK1STK17ASTK17B
SCHEMBL3389486 0.84 STK17A (0.55) TBK1PDPK1STK17ASTK17B
Trifluoroacetic Acid SCHEMBL3388242 0.83 TBK1 (0.68) SYKTBK1PDPK1STK17ASTK17B
Trifluoroacetic Acid SCHEMBL3384254 0.83 TBK1 (0.56) SYKTBK1PDPK1STK17ACHEK1
SCHEMBL3384481 0.83 ULK1 (0.55) SYKTBK1PDPK1STK17ASTK17B

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 SYK 627/4885TBK1 2898/4885PDPK1 2468/4885

“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.