SCHEMBL16701733

SCHEMBL16701733

Nc1ncnc2c1c(I)nn2CCNCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
EGFR P00533 3/20 0.39
SRC P12931 3/20 0.39
CSK P41240 2/20 0.39
KDR P35968 2/20 0.39
RET P07949 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PIK3CD O00329 3/20 0.38
KDM4C Q9H3R0 1/20 0.38
ABL1 P00519 2/20 0.38
CDK1 P06493 1/20 0.38
ABL2 P42684 1/20 0.38
PIK3CG P48736 3/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PRKDC P78527 2/20 0.38
HCK P08631 1/20 0.38

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
SCHEMBL28393030 0.88 SRC (0.46) EGFRSRCCSKKDRRET
SCHEMBL2965087 0.84 PIK3CD (0.42) EGFRSRCKDRRETJAK2
SCHEMBL3832902 0.83 ALDH1A1 (0.47) EGFRSRCKDRRETJAK2
SCHEMBL16701492 0.81 MAPK1 (0.45) CHRM2CYP1A2EGFRSRCCSK
SCHEMBL16702035 0.77 PIK3CD (0.51) EGFRSRCKDRPIK3CDABL1
SCHEMBL16701523 0.71 ADK (0.49) EGFRSRCKDRRETJAK2
SCHEMBL16701486 0.70 BTK (0.47) EGFRSRCKDRRETJAK2
SCHEMBL23063891 0.70 SRC (0.46) EGFRSRCKDRRETJAK2
SCHEMBL868521 0.70 DYRK3 (0.51) EGFRSRCKDRRETJAK2
SCHEMBL4572201 0.70 RET (0.48) EGFRSRCKDRRETJAK2

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-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB CHRM2 4881/4885CYP1A2 3847/4885CYP2D6 3838/4885

“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.