SCHEMBL6316740

SCHEMBL6316740

Cc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2cccc(F)c2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
GRM5 P41594 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KCNK3 O14649 1/20 0.39
WNT3A P56704 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
SCHEMBL6318278 0.90 HTT (0.44) ALDH1A1LMNAGRM5TSHRMAPT
SCHEMBL6317182 0.89 ALDH1A1 (0.46) ALDH1A1LMNAGRM5SMN1; SMN2TP53
SCHEMBL6316791 0.89 ALDH1A1 (0.46) ALDH1A1LMNAGRM5TSHRSMN1; SMN2
SCHEMBL28753350 0.88 ALDH1A1 (0.42) ALDH1A1LMNAGRM5CYP1A2CYP2C19
SCHEMBL6316647 0.87 SMN1; SMN2 (0.40) ALDH1A1LMNATSHRSMN1; SMN2NPC1
SCHEMBL6315963 0.85 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL27591842 0.84 KDM4E (0.44) ALDH1A1LMNAGRM5CYP1A2CYP2C19
SCHEMBL6316394 0.84 KMT2A (0.48) ALDH1A1LMNAGRM5TSHRSMN1; SMN2
SCHEMBL6315832 0.84 CA1 (0.43) ALDH1A1LMNATSHRSMN1; SMN2MAPT
SCHEMBL6317739 0.84 LMNA (0.46) ALDH1A1LMNATSHRSMN1; SMN2TP53

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 4444/4885LMNA 3334/4885GRM5 1454/4885

“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.