SCHEMBL6315445

SCHEMBL6315445

Cc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2cccc3ccccc23)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.43
MDM2 Q00987 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ENPP2 Q13822 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL6321867 0.89 WNT3A (0.41) WNT3ANPC1RAB9AMAPTKDM4E
SCHEMBL6315001 0.87 ALDH1A1 (0.44) WNT3ANPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6316647 0.82 SMN1; SMN2 (0.40) WNT3ANPC1RAB9AKDM4ELMNA
SCHEMBL6322626 0.81 NPC1 (0.48) WNT3ANPC1RAB9AMAPTKDM4E
SCHEMBL6316394 0.81 KMT2A (0.48) WNT3ANPC1MAPTLMNASMN1; SMN2
SCHEMBL6318278 0.81 HTT (0.44) WNT3ANPC1RAB9AMAPTKDM4E
SCHEMBL6315832 0.81 CA1 (0.43) WNT3ANPC1RAB9AMAPTKDM4E
SCHEMBL6315448 0.81 ALDH1A1 (0.43) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL6316791 0.81 ALDH1A1 (0.46) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL6317182 0.81 ALDH1A1 (0.46) WNT3ANPC1RAB9AMAPTLMNA

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-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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 WNT3A 4166/4885MDM2 1821/4885ABCG2 4124/4885

“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.