SCHEMBL6316288

SCHEMBL6316288

CCCC(CCC)C(=O)Nc1onc(-c2ccccn2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
POLB P06746 2/20 0.37
GABRA5 P31644 3/20 0.36
GRM5 P41594 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MME P08473 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6318046 0.91 ADORA1 (0.42) RETGABRA5GRM5KDM4EALDH1A1
SCHEMBL6315406 0.83 RAB9A (0.41) RETPOLBKDM4EALDH1A1MEN1
SCHEMBL6318817 0.81 ADORA1 (0.40) RETKDM4EALDH1A1LMNA
SCHEMBL6317564 0.81 MLYCD (0.42) CA1CA2POLBKDM4EALDH1A1
SCHEMBL6318092 0.80 ALDH1A1 (0.42) RETCA1CA2POLBGABRA5
SCHEMBL6318389 0.79 ALDH1A1 (0.43) RETCA1CA2KDM4EALDH1A1
SCHEMBL6317766 0.79 EDNRA (0.38) RETGABRA5GRM5KDM4EALDH1A1
SCHEMBL6318219 0.78 EDNRA (0.42) RETCA1CA2GABRA5GRM5
SCHEMBL6317751 0.78 LMNA (0.37) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL6317090 0.78 RET (0.39) RETGABRA5GRM5KDM4EALDH1A1

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 4 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

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 RET 768/4885CA1 2406/4885CA2 2764/4885

“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.