SCHEMBL6316388

SCHEMBL6316388

Nc1onc(-c2cccnc2)c1C(=O)NC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.49
WNT1 P04628 4/20 0.49
GABRA5 P31644 2/20 0.47
ALDH1A1 P00352 2/20 0.45
ITGA5 P08648 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MLLT1 Q03111 1/20 0.42
S1PR1 P21453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6317454 0.98 DYRK1A (0.49) DYRK1AWNT1GABRA5ALDH1A1ITGA5
SCHEMBL6324531 0.97 DYRK1A (0.50) DYRK1AWNT1GABRA5ALDH1A1ITGA5
SCHEMBL6315727 0.97 DYRK1A (0.50) DYRK1AWNT1GABRA5ALDH1A1ITGA5
SCHEMBL6314838 0.84 TAS1R3 (0.46) GABRA5ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL6316279 0.83 ALDH1A1 (0.49) GABRA5ALDH1A1ITGA5RAB9ASMN1; SMN2
SCHEMBL6324017 0.81 GABRA5 (0.55) GABRA5ALDH1A1ITGA5MLLT1KDM4E
SCHEMBL6315994 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AHTTPOLB
SCHEMBL6322066 0.81 GABRA5 (0.50) GABRA5ALDH1A1
SCHEMBL6316419 0.80 TSHR (0.52) ALDH1A1RAB9AMLLT1KMT2APOLB
SCHEMBL6315841 0.78 GABRA1 (0.51) GABRA5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 DYRK1A 462/4885WNT1 3718/4885GABRA5 742/4885

“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.