SCHEMBL6316840

SCHEMBL6316840

Nc1onc(-c2ccncc2)c1C(=O)NC1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 5/20 0.44
TAS1R1 Q7RTX1 5/20 0.44
TAS1R2 Q8TE23 5/20 0.44
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
RAB9A P51151 1/20 0.42
P2RX7 Q99572 1/20 0.42
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.42
ADORA2A P29274 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL6316419 0.89 TSHR (0.52) RECQLROCK2ROCK1TSHRALDH1A1
SCHEMBL6322565 0.87 RECQL (0.47) RECQLROCK2ROCK1TSHRALDH1A1
SCHEMBL6316268 0.84 RECQL (0.48) RECQLTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6316866 0.84 RECQL (0.48) RECQLROCK2ROCK1TSHRTAS1R3
SCHEMBL6315994 0.83 ALDH1A1 (0.60) RECQLTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6319067 0.82 RECQL (0.51) RECQLTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6315251 0.82 RECQL (0.46) RECQLTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6324198 0.81 RECQL (0.46) RECQLROCK2TSHRALDH1A1TAS1R3
SCHEMBL6323197 0.81 TAS1R3 (0.52) RECQLTSHRALDH1A1TAS1R3TAS1R1
SCHEMBL6323161 0.81 ALDH1A1 (0.52) RECQLTSHRALDH1A1TAS1R3TAS1R1

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 RECQL 2512/4885ROCK2 1500/4885ROCK1 1457/4885

“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.