SCHEMBL5582972

SCHEMBL5582972

CC(C)CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.52
RIPK1 Q13546 11/20 0.52
KDR P35968 1/20 0.52
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MPI P34949 1/20 0.49
RORC P51449 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 2/20 0.47
USP2 O75604 1/20 0.47
HSP90AA1 P07900 1/20 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
SCHEMBL6070799 0.94 MAPK10 (0.56) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6071548 0.89 MAPK10 (0.49) MAPK10RIPK1KDM4EMEN1ALDH1A1
SCHEMBL6071302 0.86 MAPK10 (0.54) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL5583211 0.86 MAPK10 (0.58) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6071573 0.84 MAPK10 (0.56) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6070579 0.83 MAPK10 (0.62) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6070728 0.83 KDM4E (0.57) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL6070716 0.82 MAPK10 (0.61) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6071065 0.81 MAPK10 (0.60) MAPK10RIPK1KDRKDM4EMEN1
SCHEMBL6070746 0.79 MAPK10 (0.63) MAPK10RIPK1KDRKDM4EMEN1

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.