SCHEMBL6316372

SCHEMBL6316372

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
RORC P51449 1/20 0.42
EPHX2 P34913 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
P2RX7 Q99572 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
SCHEMBL6317842 0.90 HTT (0.45) NTRK1RORCEPHX2RAB9AALDH1A1
SCHEMBL6319272 0.89 RAB9A (0.42) RAB9AALDH1A1POLBLMNAMAPT
SCHEMBL6316246 0.88 RAB9A (0.43) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL6324592 0.87 PRNP (0.45) RAB9AALDH1A1POLBMAPT
SCHEMBL6316017 0.87 S1PR4 (0.45) RAB9AALDH1A1NPC1POLBMAPT
SCHEMBL6321094 0.86 CA1 (0.49) NTRK1RORCEPHX2ALDH1A1PPARG
SCHEMBL6323204 0.86 CHRNB2 (0.41) RAB9AALDH1A1POLBMAPT
SCHEMBL6317733 0.85 RAB9A (0.45) RORCEPHX2RAB9AALDH1A1POLB
SCHEMBL6316618 0.85 TACR1 (0.46) RAB9AALDH1A1POLBLMNA
SCHEMBL6323058 0.84 NPC1 (0.51) RAB9AALDH1A1NPC1HTTLMNA

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 NTRK1 1849/4885RORC 673/4885EPHX2 4156/4885

“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.