SCHEMBL3600409

SCHEMBL3600409

Cc1cc(C)n(-c2nc(N(C(=O)OC(C)(C)C)c3ccc(F)cc3)c3ncn(Cc4ccccc4)c3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MCL1 Q07820 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3589645 0.84 YTHDC1 (0.45) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL3590494 0.81 MAPK14 (0.45) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2517763 0.79 KCNN3 (0.54) MAPK14KMT2AALDH1A1LMNAALOX15
SCHEMBL3591520 0.74 KCNN3 (0.58) ALOX15SMN1; SMN2NPSR1POLBHTT
SCHEMBL2521840 0.70 KCNN2 (0.55) MAPK14KMT2AALDH1A1LMNAALOX15
SCHEMBL4425564 0.68 MAPK14 (0.50) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL2516946 0.68 KCNN3 (0.51) MAPK14KMT2AALDH1A1LMNAALOX15
SCHEMBL2519463 0.68 KCNN3 (0.51) MAPK14KMT2AALDH1A1LMNAALOX15
SCHEMBL183708 0.67 KCNN2 (0.70) HDAC1HDAC2KMT2AALDH1A1LMNA
SCHEMBL244351 0.64 KCNN3 (0.50) MAPK14KMT2AMEN1MAPTMAPK1

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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 MAPK14 1035/4885PDE4A 434/4885PDE4B 510/4885

“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.