SCHEMBL6315512

SCHEMBL6315512

COC(=O)c1c(-c2ccccn2)noc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GABRA5 P31644 3/20 0.48
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
RET P07949 1/20 0.39
AXL P30530 1/20 0.39
TDO2 P48775 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL407641 0.85 POLB (0.58) LMNARAB9AGAAGABRA5PTGS1
SCHEMBL6317780 0.84 MAPT (0.49) LMNARAB9AGABRA5ALDH1A1POLB
SCHEMBL6315950 0.83 KDM4E (0.43) LMNARAB9AGAATSHRGABRA5
SCHEMBL6318141 0.83 RET (0.47) LMNAGAATSHRGABRA5KDM4E
SCHEMBL408224 0.83 POLB (0.49) RAB9AGAATSHRGABRA5PTGS1
SCHEMBL12997955 0.80 LMNA (0.74) LMNARAB9AGAATSHRMAPK1
SCHEMBL6316734 0.79 ALDH1A1 (0.43) LMNARAB9AGAAMAPK1GABRA5
SCHEMBL6316151 0.79 CA1 (0.56) LMNARAB9AGAAMAPK1
SCHEMBL6316431 0.78 CA1 (0.52) RAB9AGAAMAPK1KDM4EALDH1A1
SCHEMBL6316348 0.78 NPC1 (0.54) LMNAGAAKDM4EALDH1A1POLB

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 LMNA 3334/4885RAB9A 1754/4885GAA 789/4885

“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.