Sugi Predict

Sugi Predict / Compounds / SCHEMBL2103266

SCHEMBL2103266

SCHEMBL2103266

[c]1ccc(Oc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ APAF1 O14727 1/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ RAB9A P51151 6/20 0.44
▸ MAPT P10636 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ HTT P42858 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TLR4 O00206 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL4722175 0.80 MEN1 (0.36) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL667594 0.78 MEN1 (0.64) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL692949 0.77 LTA4H (0.46) SMN1; SMN2LMNAKDM4ERAB9ANPC1
SCHEMBL3939679 0.77 MEN1 (0.47) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL20243514 0.75 MEN1 (0.46) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL28840343 0.74 MEN1 (0.65) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL609237 0.74 LTA4H (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL15271000 0.73 ALOX5AP (0.38) MEN1KMT2AAPAF1MAPTSCN9A
SCHEMBL806523 0.73 MEN1 (0.63) MEN1KMT2AAPAF1SMN1; SMN2LMNA
SCHEMBL1748538 0.73 MEN1 (0.63) MEN1KMT2AAPAF1SMN1; SMN2LMNA

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 — — US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 — — US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 — — EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
CN-105722836-A PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS 埃克希金医药品有限公司 2016-06-29 — — CN claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 — — US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 — — US claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 — — US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 — — EP claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 — — WO claimed
WO-2013138617-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2013-09-19 — — WO claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP claimed
JP-2005536450-A — — 2005-12-02 — — JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US claimed
US-20030158186-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 — — US claimed
WO-2003059265-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 — — WO claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MEN1 4405/4885KMT2A 1794/4885APAF1 4210/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 MEN1 4555/4885KMT2A 3524/4885APAF1 2904/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 MEN1 4769/4885KMT2A 2811/4885APAF1 1950/4885
US-20030158186-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 MEN1 4537/4885KMT2A 2747/4885APAF1 1267/4885

“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.