SCHEMBL6315437

SCHEMBL6315437

Nc1onc(-c2cccnc2)c1C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6617642 0.91 ALDH1A1 (0.48) EPHX2CYP2C9CYP2C19HPGDLMNA
SCHEMBL6315451 0.87 ALDH1A1 (0.47) EPHX2CYP2C9CYP2C19HPGDLMNA
SCHEMBL6315431 0.85 ALDH1A1 (0.55) EPHX2ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL6323619 0.83 L3MBTL1 (0.62) EPHX2ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL6316553 0.83 ALDH1A1 (0.66) LMNAALDH1A1L3MBTL1KDM4ECA1
SCHEMBL6316689 0.83 ALDH1A1 (0.47) LMNAALDH1A1L3MBTL1KDM4ECA1
SCHEMBL6317724 0.82 L3MBTL1 (0.58) EPHX2ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL6318002 0.82 GAA (0.50) ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL6323447 0.81 EPHX2 (0.45) EPHX2CYP2C9CYP2C19HPGDLMNA
SCHEMBL6318188 0.81 L3MBTL1 (0.48) ALDH1A1L3MBTL1KDM4ECA1CA2

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 2 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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US 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 EPHX2 4156/4885CYP2C9 4466/4885CYP2C19 3888/4885

“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.