SCHEMBL6317545

SCHEMBL6317545

Cc1cccc(CNC(=O)c2c(-c3cccnc3)noc2N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL6324120 0.89 ALDH1A1 (0.60) ALDH1A1TSHRLMNARAB9ATP53
SCHEMBL6317470 0.88 ALDH1A1 (0.54) ALDH1A1TSHRLMNARAB9ATP53
SCHEMBL6316235 0.88 NPC1 (0.58) ALDH1A1TSHRLMNARAB9ATP53
SCHEMBL6316553 0.87 ALDH1A1 (0.66) ALDH1A1TSHRLMNARAB9AKMT2A
SCHEMBL6323171 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4RAB9APOLB
SCHEMBL6317581 0.84 ALDH1A1 (0.52) ALDH1A1TSHRRAB9AHCRTR1HCRTR2
SCHEMBL6317485 0.83 HCRTR2 (0.59) ALDH1A1CYP1A2CYP3A4LMNAHCRTR1
SCHEMBL6316080 0.83 ALDH1A1 (0.48) ALDH1A1POLBHCRTR1HCRTR2SMN1; SMN2
SCHEMBL6315811 0.82 TSHR (0.56) ALDH1A1CYP1A2TSHRLMNARAB9A
SCHEMBL6323388 0.82 HCRTR1 (0.56) ALDH1A1TSHRLMNARAB9ATP53

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 4444/4885CYP1A2 4402/4885CYP3A4 4111/4885

“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.