SCHEMBL6314877

SCHEMBL6314877

NC(=O)c1c(-c2ccc3ccccc3n2)noc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
PTGS1 P23219 2/20 0.40
KCNJ11 Q14654 1/20 0.40
HDAC4 P56524 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
EPHB4 P54760 4/20 0.39
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 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
SCHEMBL6317827 0.82 TRPV1 (0.56) NPC1RAB9APTGS1TRPV1
SCHEMBL6316047 0.78 GABRD (0.47) NPC1PTGS1KDM4EALDH1A1POLB
SCHEMBL6319264 0.77 NPC1 (0.47) NPC1PTGS1HDAC4TRPV1
SCHEMBL6318523 0.77 ADORA1 (0.38) NPC1RAB9AHDAC4ADORA3KDM4E
SCHEMBL6315987 0.77 NPC1 (0.47) NPC1RAB9AADORA3
SCHEMBL6316802 0.76 MAP4K4 (0.42) NPC1RAB9AADORA3KDM4EALDH1A1
SCHEMBL6322895 0.75 SMN1; SMN2 (0.42) NPC1RAB9AADORA3KDM4EALDH1A1
SCHEMBL6319745 0.75 ADORA1 (0.40) NPC1RAB9AKCNJ11ADORA3ALDH1A1
SCHEMBL6318236 0.75 NTRK1 (0.53) NPC1RAB9AHDAC4TRPV1
SCHEMBL4433745 0.75 NPC1 (0.73) NPC1RAB9APTGS1KCNJ11ADORA3

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 1754/4885PTGS1 2109/4885

“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.