SCHEMBL3882918

SCHEMBL3882918

COC(=O)c1cc2c(s1)c(NC(=O)c1ccc(N3CCOCC3)cc1)nn2C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.47
LRRK2 Q5S007 8/20 0.47
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CDC7 O00311 1/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 1/20 0.43

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
SCHEMBL3891657 0.91 AURKA (0.53) AURKANPC1RAB9A
SCHEMBL3882164 0.89 AURKA (0.47) AURKASMN1; SMN2NPC1RAB9AFGFR1
SCHEMBL3882916 0.84 KMT2A (0.44) AURKAMAPTLMNASMN1; SMN2MEN1
SCHEMBL3879467 0.80 AURKA (0.71) AURKACDC7CHEK1JAK2PAK4
SCHEMBL3879927 0.79 AURKA (0.44) AURKANTRK1KIT
SCHEMBL3881861 0.78 WNT1 (0.42) AURKAMAPTLMNAKITFGFR1
SCHEMBL3883840 0.78 TAAR1 (0.47)
SCHEMBL1433941 0.77 AURKA (0.69) AURKAMAPK1CDC7CHEK1JAK2
SCHEMBL1895752 0.74 AURKA (0.66) AURKAMAPK1CDC7CHEK1JAK2
SCHEMBL1433403 0.74 AURKA (0.66) AURKAMAPK1CDC7CHEK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 AURKA 239/4885LRRK2 536/4885MAPT 2511/4885

“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.