SCHEMBL5583227

SCHEMBL5583227

O=C(NCc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.57
RIPK1 Q13546 6/20 0.57
KDR P35968 1/20 0.57
IMPDH2 P12268 1/20 0.50
MAPK1 P28482 4/20 0.48
MAPK3 P27361 1/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
RAB9A P51151 3/20 0.48
TSHR P16473 2/20 0.48
AURKA O14965 1/20 0.48
HPGD P15428 1/20 0.48
PTK2B Q14289 1/20 0.48
PDE4B Q07343 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL6071133 0.94 MAPK10 (0.56) MAPK10RIPK1KDRIMPDH2MAPK1
SCHEMBL14366593 0.91 MAPK10 (0.51) MAPK10RIPK1KDRMAPK1MAPK3
SCHEMBL14366592 0.91 MAPK10 (0.51) MAPK10RIPK1KDRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5583174 0.91 MAPK10 (0.50) MAPK10RIPK1KDRMAPK1MAPK3
Hydrochloric Acid SCHEMBL5582974 0.90 MAPK10 (0.50) MAPK10RIPK1KDRMAPK1ALDH1A1
SCHEMBL6071636 0.89 MAPK10 (0.55) MAPK10RIPK1IMPDH2MAPK1MAPK3
SCHEMBL14366590 0.88 RAB9A (0.56) MAPK10RIPK1KDRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5583253 0.87 RAB9A (0.55) MAPK10RIPK1KDRMAPK1ALDH1A1
SCHEMBL6071521 0.86 IMPDH2 (0.57) MAPK10RIPK1KDRIMPDH2MAPK1
SCHEMBL6071190 0.85 MAPK10 (0.55) MAPK10RIPK1MAPK1MAPK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 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 (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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 MAPK10 387/4885RIPK1 131/4885KDR 1815/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 MAPK10 1222/4885RIPK1 702/4885KDR 2/4885

“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.