SCHEMBL2415990

SCHEMBL2415990

CN1CCN(c2ccc(NC(=O)c3cc4c(NC(=O)c5cccc(F)c5)n[nH]c4s3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.57
KIT P10721 1/20 0.55
FLT3 P36888 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
BTK Q06187 2/20 0.54
NTRK1 P04629 2/20 0.49
INSR P06213 1/20 0.49
IGF1R P08069 1/20 0.49
AURKB Q96GD4 1/20 0.49
ALK Q9UM73 1/20 0.49
MAPK14 Q16539 1/20 0.48
PDE7A Q13946 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 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
SCHEMBL2413199 0.91 SMN1; SMN2 (0.55) AURKANPC1RAB9ASMN1; SMN2TP53
SCHEMBL2418178 0.90 AURKA (0.57) AURKAKITFLT3NPC1RAB9A
SCHEMBL2419107 0.89 AURKA (0.58) AURKAKITFLT3NPC1RAB9A
SCHEMBL2419364 0.84 AURKA (0.64) AURKAKITFLT3NTRK1INSR
SCHEMBL739851 0.83 AURKA (0.65) AURKAKITFLT3NTRK1INSR
SCHEMBL2408560 0.83 MEN1 (0.51) AURKANPC1RAB9ASMN1; SMN2TP53
SCHEMBL2418812 0.83 AURKA (0.49) AURKAKITNPC1RAB9ASMN1; SMN2
SCHEMBL2415752 0.81 AURKA (0.51) AURKAKITFLT3NPC1RAB9A
SCHEMBL2413451 0.81 NPC1 (0.60) AURKAKITFLT3NPC1RAB9A
SCHEMBL2422128 0.81 MAPT (0.55) AURKANPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 AURKA 41/4885KIT 432/4885FLT3 236/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 AURKA 41/4885KIT 432/4885FLT3 236/4885

“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.