SCHEMBL6315501

SCHEMBL6315501

CCCC(C)NC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRA5 P31644 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DYRK1A Q13627 1/20 0.42
LMNA P02545 2/20 0.42
PTAFR P25105 2/20 0.41
POLB P06746 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
RET P07949 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR3 P29371 1/20 0.38
ACACB O00763 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6315380 0.93 PTAFR (0.43) GABRA5ALDH1A1L3MBTL1KDM4EDYRK1A
SCHEMBL6317813 0.92 PTAFR (0.43) GABRA5ALDH1A1L3MBTL1KDM4EDYRK1A
SCHEMBL885609 0.90 PTAFR (0.44) RAB9AGABRA5ALDH1A1L3MBTL1KDM4E
SCHEMBL6315360 0.88 GABRA5 (0.43) RAB9AGABRA5ALDH1A1L3MBTL1KDM4E
SCHEMBL6317599 0.88 LMNA (0.59) ALDH1A1L3MBTL1KDM4ELMNAPTAFR
SCHEMBL6316413 0.86 ALDH1A1 (0.44) RAB9AGABRA5ALDH1A1L3MBTL1KDM4E
SCHEMBL6323514 0.84 ALDH1A1 (0.45) NPC1RAB9AGABRA5ALDH1A1L3MBTL1
SCHEMBL6318002 0.83 GAA (0.50) ALDH1A1L3MBTL1KDM4EPOLBGAA
SCHEMBL6318188 0.82 L3MBTL1 (0.48) ALDH1A1L3MBTL1KDM4EPOLBCA1
SCHEMBL6315451 0.82 ALDH1A1 (0.47) NPC1RAB9AGABRA5ALDH1A1L3MBTL1

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 NPC1 3741/4885RAB9A 1754/4885GABRA5 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.