SCHEMBL5099786

SCHEMBL5099786

COc1cc(NC(=O)CC#N)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.71
CYP1A2 P05177 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL6316001 0.81 KMT2A (0.65) CYP2C19CYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7505473 0.80 ALDH1A1 (0.70) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL15315085 0.80 TSHR (0.60) CYP2C19CYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4000768 0.79 SMN1; SMN2 (0.58) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3011208 0.79 SMN1; SMN2 (0.58) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL7955066 0.79 SMN1; SMN2 (0.58) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11438039 0.78 SMN1; SMN2 (0.57) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8627153 0.76 CYP1A2 (0.56) CYP2C19CYP1A2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7321401 0.76 KMT2A (0.59) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4588624 0.76 KMT2A (0.59) CYP2C19SMN1; SMN2ALDH1A1KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2008-02-07 US disclosed
US-7297795-B2 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2007-11-20 US disclosed
EP-1660453-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES Wyeth Holdings Corporation (US) 2006-05-31 EP disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
WO-2005019201-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES WYETH HOLDINGS CORPORATION (US) 2005-03-03 WO disclosed
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2005-02-24 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 (3 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 CYP2C19 3888/4885CYP1A2 4402/4885SMN1; SMN2 2766/4885
US-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 CYP2C19 2542/4885CYP1A2 841/4885SMN1; SMN2 4781/4885
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 CYP2C19 2542/4885CYP1A2 841/4885SMN1; SMN2 4781/4885

“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.