Sugi Predict

Sugi Predict / Compounds / SCHEMBL2933103

SCHEMBL2933103

SCHEMBL2933103

CCN(CCOC)c1cc2[nH]c(Nc3ncccc3C)nc2cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SORT1 Q99523 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ PKM P14618 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL2930800 0.96 SORT1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2931133 0.91 CRHR1 (0.41) NPC1RAB9ASMN1; SMN2SORT1LMNA
SCHEMBL2924961 0.91 LMNA (0.39) NPC1RAB9ASORT1LMNAGAA
SCHEMBL2932201 0.88 CRHR1 (0.44) NPC1RAB9ASMN1; SMN2SORT1LMNA
SCHEMBL2929182 0.85 GAA (0.39) NPC1RAB9AKDM4ESMN1; SMN2SORT1
SCHEMBL2929442 0.83 GAA (0.41) NPC1RAB9AKDM4ESMN1; SMN2SORT1
SCHEMBL2925821 0.81 DHODH (0.39) RAB9ASMN1; SMN2RAF1BRAFMAPT
SCHEMBL2931814 0.81 PKM (0.40) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2931803 0.79 RAF1 (0.42) ALDH1A1LMNARAF1BRAFMEN1
SCHEMBL2932514 0.79 RAF1 (0.48) NPC1RAB9AKDM4EALDH1A1RAF1

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 — — 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 (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 NPC1 653/4885RAB9A 3858/4885KDM4E 769/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885KDM4E 769/4885

“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.