Sugi Predict

Sugi Predict / Compounds / SCHEMBL2934550

SCHEMBL2934550

SCHEMBL2934550

CCCNc1cc(N)c([N+](=O)[O-])cc1C(=O)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RECQL P46063 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ SRPK1 Q96SB4 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41

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
SCHEMBL2932052 0.89 HPGD (0.53) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2927679 0.83 NPC1 (0.47) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2927215 0.82 HPGD (0.55) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2924638 0.81 NPC1 (0.49) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2928262 0.79 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2927267 0.79 NPC1 (0.61) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2932300 0.79 HPGD (0.45) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2932129 0.78 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2JAK2
SCHEMBL2931009 0.77 TRPV1 (0.47) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2924973 0.77 MAP4K4 (0.60) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 — — US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 — — US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 — — EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 — — US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 — — 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB HPGD 3750/4885NPC1 653/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HPGD 3750/4885NPC1 653/4885RAB9A 3858/4885

“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.