SCHEMBL6323294

SCHEMBL6323294

Cc1ccc(CNC(=O)c2c(-c3cccnc3)noc2N)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA5 P31644 1/20 0.40
PKM P14618 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6316511 0.83 TSHR (0.59) ALDH1A1TSHRMAPTKDM4EL3MBTL1
SCHEMBL6324120 0.83 ALDH1A1 (0.60) ALDH1A1TSHRPOLBLMNANPC1
SCHEMBL6317756 0.82 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EL3MBTL1CYP2C9
SCHEMBL6316553 0.82 ALDH1A1 (0.66) ALDH1A1TSHRMAPTKDM4EL3MBTL1
SCHEMBL6314998 0.82 MAPT (0.44) ALDH1A1TSHRMAPTPKMPOLB
SCHEMBL6315898 0.81 GABRA1 (0.43) ALDH1A1TSHRMAPTPKMPOLB
SCHEMBL6317545 0.81 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EL3MBTL1CYP2C9
SCHEMBL6315546 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1GABRA5POLB
SCHEMBL6315811 0.79 TSHR (0.56) ALDH1A1TSHRMAPTKDM4ECYP2C9
SCHEMBL6316120 0.79 TSHR (0.48) ALDH1A1TSHRMAPTKDM4EL3MBTL1

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 ALDH1A1 4444/4885TSHR 3971/4885MAPT 281/4885

“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.