SCHEMBL6315399

SCHEMBL6315399

Cc1ccc(-c2noc(N)c2C(=O)NCc2ccccc2C(F)(F)F)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.51
ADORA2A P29274 5/20 0.47
PTGES O14684 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ADORA1 P30542 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 5/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 2/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL6321094 0.88 CA1 (0.49) NTRK1CNR1CNR2KDM4ELMNA
SCHEMBL6324180 0.87 POLB (0.45) ADORA2AADORA1LMNAMEN1HPGD
SCHEMBL6321162 0.87 HPGD (0.47) ADORA2AADORA1KDM4ELMNAHTT
SCHEMBL6319034 0.85 ALDH1A1 (0.48) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL6316546 0.85 ALDH1A1 (0.55) ADORA2AADORA1KMT2AP2RX7
SCHEMBL6322234 0.84 SCD5 (0.46) NTRK1ADORA2ACNR1CNR2ADORA1
SCHEMBL6317842 0.83 HTT (0.45) NTRK1KDM4ESMN1; SMN2EPHX2HTT
SCHEMBL6317388 0.83 ADORA2A (0.61) ADORA2AADORA1KDM4ELMNASMN1; SMN2
SCHEMBL6317242 0.83 ADORA2A (0.45) ADORA2AADORA1MEN1KMT2A
SCHEMBL6316372 0.83 NTRK1 (0.44) NTRK1LMNAEPHX2HTTP2RX7

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 1849/4885ADORA2A 1101/4885PTGES 2070/4885

“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.