Sugi Predict

Sugi Predict / Compounds / SCHEMBL14320780

SCHEMBL14320780

SCHEMBL14320780

O=C(O)NC1(c2ccc(Nc3nc(N4CCOCC4)ccc3[N+](=O)[O-])cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.40
▸ MAPK1 P28482 6/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 9/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SRC P12931 1/20 0.37

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
SCHEMBL14320777 1.00 MAPT (0.40) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14321285 0.92 ALDH1A1 (0.46) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14321281 0.92 ALDH1A1 (0.46) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL15157752 0.91 RAB9A (0.41) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL2175890 0.91 RAB9A (0.41) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14321994 0.89 MAPT (0.45) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14321995 0.89 MAPT (0.45) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14328841 0.87 JAK2 (0.36) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14322510 0.85 ALDH1A1 (0.46) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL14322508 0.85 ALDH1A1 (0.46) MAPTMAPK1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 — — EP disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 — — US disclosed
US-8815854-B2 Substituted imidazopyridinyl compounds ARQULE, INC. (US) 2014-08-26 — — US disclosed
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. 2014-03-13 — — US disclosed
US-8609688-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-12-17 — — US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 — — US disclosed
US-20120329793-A1 Substituted Imidazopyridinyl Compounds ARQULE, INC. (US) 2012-12-27 — — US 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-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 MAPT 2905/4885MAPK1 2544/4885TDP1 1469/4885
US-20140073635-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 MAPT 2905/4885MAPK1 2544/4885TDP1 1469/4885
US-20120329793-A1 Substituted Imidazopyridinyl Compounds MKI67, CDK4, TP53 MAPT 3716/4885MAPK1 2656/4885TDP1 1804/4885

“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.