SCHEMBL13632606

SCHEMBL13632606

Nc1cccc(-c2cccc3c(Nc4ccc(N5CCOCC5)cc4)nccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.63
KDR P35968 2/20 0.53
PLK4 O00444 1/20 0.52
MAPKAPK2 P49137 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
YES1 P07947 1/20 0.49
ITK Q08881 1/20 0.49
PIK3CB P42338 1/20 0.48
PRKDC P78527 1/20 0.48
TTBK1 Q5TCY1 2/20 0.48
TTBK2 Q6IQ55 2/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47
ATR Q13535 1/20 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
SCHEMBL4518881 0.85 PIK3CB (0.46) JAK2KDRPIK3CBPRKDCMAPT
SCHEMBL13632607 0.84 MAPKAPK2 (0.52) JAK2KDRMAPKAPK2ABL1NTRK1
SCHEMBL18527544 0.79 JAK2 (0.61) JAK2KDRPLK4MAPKAPK2ABL1
SCHEMBL12801112 0.77 JAK2 (1.00) JAK2PLK4
SCHEMBL2572202 0.77 JAK2 (0.58) JAK2PLK4ITKPIK3CBPRKDC
SCHEMBL13859374 0.77 JAK2 (0.69) JAK2PLK4ITKMAPTMAPK1
SCHEMBL16514799 0.76 JAK2 (0.66) JAK2PLK4ITKSYK
SCHEMBL16513771 0.76 JAK2 (0.65) JAK2PLK4MAPKAPK2ITKMAPT
SCHEMBL29576008 0.76 JAK2 (0.65) JAK2PLK4MAPKAPK2ITKMAPT
SCHEMBL21155959 0.75 JAK2 (0.63) JAK2PLK4MAPKAPK2ITKMAPT

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-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 US disclosed
US-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090291949-A1 SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS HRH4, NR1H2, NR1H3 JAK2 1723/4885KDR 1599/4885PLK4 753/4885

“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.