SCHEMBL6319035

SCHEMBL6319035

Cc1ccc(NC(=O)c2c(-c3cccnc3)noc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA4 P22748 7/20 0.56
CA7 P43166 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
NAMPT P43490 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATR Q13535 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6317791 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6316560 0.86 SMN1; SMN2 (0.59) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6324120 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NAMPTNPC1RAB9A
SCHEMBL6316411 0.81 RAB9A (0.50) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6318210 0.80 DYRK1A (0.47) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315774 0.79 RAB9A (0.56) ALDH1A1KDM4EL3MBTL1SMN1; SMN2MAPK1
SCHEMBL6316431 0.78 CA1 (0.52) ALDH1A1KDM4ECA1CA2CA4
SCHEMBL6323514 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6316517 0.78 CA1 (0.52) ALDH1A1CA1CA2CA4CA7
SCHEMBL6315186 0.78 TDO2 (0.49) ALDH1A1KDM4EL3MBTL1CA1CA2

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 ALDH1A1 4444/4885KDM4E 1382/4885L3MBTL1 4176/4885

“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.